(2S)-3-Formamido-2-methylpropanamide

CAS Number: 660823-46-1
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C[C@@H](CNC=O)C(N)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H10N2O2
Molecular Weight
130.146
Drug-likeness
0.9985
CAS
660823-46-1
InChI key
GSLGRBPLEUKWOV-BYPYZUCNSA-N
SMILES
C[C@@H](CNC=O)C(N)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 660823-46-1
Molecule Name (2S)-3-Formamido-2-methylpropanamide
Molecular Formula C5H10N2O2
SMILES C[C@@H](CNC=O)C(N)=O
InChI InChI=1S/C5H10N2O2/c1-4(5(6)9)2-7-3-8/h3-4H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1
InChI Key GSLGRBPLEUKWOV-BYPYZUCNSA-N
CanonicalSyTyLFy cccc68d8a9d58863
TotalMolweight 130.146
Molecular Weight 130.146
MonoisotopicMass 130.074228
CLogP -1.3113
CLogS -0.901
H Acceptors 4
H Donors 2
TotalSurfaceArea 109.29
Relative PSA 0.48321
PolarSurfaceArea 72.19
Drug-likeness 0.9985
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.74106
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 3
Sp3Atoms 3
Amides 2
StereoCon this enantiomer

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