(2S)-2-(benzylamino)butanamide

C11H16N2O — CID 131998527

IUPAC(2S)-2-(benzylamino)butanamide
SMILESCC[C@H](NCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(11(12)14)13-8-9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyBNPFIARLKXCRNF-JTQLQIEISA-N
MW192.26 g/mol
LogP1.04
Rot. Bonds5

About (2S)-2-(benzylamino)butanamide

(2S)-2-(benzylamino)butanamide (PubChem CID 131998527) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-(benzylamino)butanamide.

Molecular Properties

Compound Name(2S)-2-(benzylamino)butanamide
PubChem CID131998527
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-(benzylamino)butanamide
SMILESCC[C@H](NCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(11(12)14)13-8-9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyBNPFIARLKXCRNF-JTQLQIEISA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
CID 107230915
2-(benzylamino)-4,4-dimethylpentanamide
CID 62949870
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
deuteriomethyl 2-(benzylamino)butanoate
CID 170776143
2-(benzylamino)-5,5,5-trifluoropentanamide
CID 67121979
3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
CID 77328442
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
tert-butyl N-[4-amino-3-(benzylamino)-4-oxobutyl]carbamate
CID 102730645
2-[(benzylamino)methyl]butanamide
CID 71433052
(2R)-2-(benzylamino)hexanoic acid
CID 129366307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)butanamide?
The IUPAC name of (2S)-2-(benzylamino)butanamide (CID 131998527) is (2S)-2-(benzylamino)butanamide.
What is the SMILES notation for (2S)-2-(benzylamino)butanamide?
The canonical SMILES for (2S)-2-(benzylamino)butanamide is CC[C@H](NCc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-(benzylamino)butanamide?
The InChIKey is BNPFIARLKXCRNF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-10(11(12)14)13-8-9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H2,12,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)butanamide?
(2S)-2-(benzylamino)butanamide has a molecular weight of 192.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)butanamide is sourced from PubChem (CID 131998527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).