(2S)-2-amino-N-benzyl-3-methylbutanamide

C12H18N2O — CID 11063601

IUPAC(2S)-2-amino-N-benzyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyAPGFMIYGVANCND-NSHDSACASA-N
MW206.29 g/mol
LogP1.29
Rot. Bonds4

About (2S)-2-amino-N-benzyl-3-methylbutanamide

(2S)-2-amino-N-benzyl-3-methylbutanamide (PubChem CID 11063601) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-3-methylbutanamide
PubChem CID11063601
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-amino-N-benzyl-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyAPGFMIYGVANCND-NSHDSACASA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2,3-diamino-N-benzylbutanamide
CID 143155055
2-[2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]acetic acid
CID 81318494
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2S)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-3-methylbutanamide (CID 11063601) is (2S)-2-amino-N-benzyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-benzyl-3-methylbutanamide?
The InChIKey is APGFMIYGVANCND-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)11(13)12(15)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-3-methylbutanamide?
(2S)-2-amino-N-benzyl-3-methylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-3-methylbutanamide is sourced from PubChem (CID 11063601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).