(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide

C13H19N3O2 — CID 66657959

IUPAC(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
SMILESCC(C)[C@H](N[C@H](C(N)=O)c1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-8(2)10(12(14)17)16-11(13(15)18)9-6-4-3-5-7-9/h3-8,10-11,16H,1-2H3,(H2,14,17)(H2,15,18)/t10-,11-/m0/s1
InChIKeyJPYLYZGRKVNUET-QWRGUYRKSA-N
MW249.31 g/mol
LogP0.31
Rot. Bonds6

About (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide

(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide (PubChem CID 66657959) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
PubChem CID66657959
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
SMILESCC(C)[C@H](N[C@H](C(N)=O)c1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-8(2)10(12(14)17)16-11(13(15)18)9-6-4-3-5-7-9/h3-8,10-11,16H,1-2H3,(H2,14,17)(H2,15,18)/t10-,11-/m0/s1
InChIKeyJPYLYZGRKVNUET-QWRGUYRKSA-N
XLogP0.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
2-(chloroamino)-2-phenylacetamide
CID 89152727
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide?
The IUPAC name of (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide (CID 66657959) is (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide is CC(C)[C@H](N[C@H](C(N)=O)c1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide?
The InChIKey is JPYLYZGRKVNUET-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)10(12(14)17)16-11(13(15)18)9-6-4-3-5-7-9/h3-8,10-11,16H,1-2H3,(H2,14,17)(H2,15,18)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide?
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide is sourced from PubChem (CID 66657959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).