2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide

C13H18N2O2 — CID 141277075

IUPAC2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)CN)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(2)12(15-11(16)8-14)13(17)10-6-4-3-5-7-10/h3-7,9,12H,8,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyBTFNBYZKOYFYKS-LBPRGKRZSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide

2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 141277075) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID141277075
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)CN)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(2)12(15-11(16)8-14)13(17)10-6-4-3-5-7-10/h3-7,9,12H,8,14H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyBTFNBYZKOYFYKS-LBPRGKRZSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 18492623
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
(2S,3S)-3-[[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CID 18741174
methyl 3-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoate
CID 86978264
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 18490127
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 18492445
2-amino-N-[(2S)-1-[(2S)-2-(2,3-dioxo-3-phenylpropanoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide;hydrobromide
CID 141234271

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide (CID 141277075) is 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide is CC(C)[C@H](NC(=O)CN)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is BTFNBYZKOYFYKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)12(15-11(16)8-14)13(17)10-6-4-3-5-7-10/h3-7,9,12H,8,14H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide?
2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-3-methyl-1-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 141277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).