(2R)-2-Aminodecanoic acid

CAS Number: 84276-16-4
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CCCCCCCC[C@H](C(O)=O)N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H21NO2
Molecular Weight
187.282
Drug-likeness
-32.781
CAS
84276-16-4
InChI key
JINGUCXQUOKWKH-SECBINFHSA-N
SMILES
CCCCCCCC[C@H](C(O)=O)N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 84276-16-4
Molecule Name (2R)-2-Aminodecanoic acid
Molecular Formula C10H21NO2
SMILES CCCCCCCC[C@H](C(O)=O)N
InChI InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m1/s1
InChI Key JINGUCXQUOKWKH-SECBINFHSA-N
CanonicalSyTyLFy 4330ab06866dbb87
TotalMolweight 187.282
Molecular Weight 187.282
MonoisotopicMass 187.157229
CLogP 0.1897
CLogS -2.296
H Acceptors 3
H Donors 2
TotalSurfaceArea 167.2
Relative PSA 0.24767
PolarSurfaceArea 63.32
Drug-likeness -32.781
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.84615
Molecula Flexibility 0.57397
Molecular Complexity 0.41415
Fragments 1
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 8
Sp3Atoms 11
Amines 1
AlkylAmines 1
BasicNitrogens 1
AcidicOxygens 1
StereoCon this enantiomer

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