2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide

C13H19N3O2 — CID 5077890

IUPAC2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-10(14)13(18)16-11(12(15)17)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRTINNOPAZIOQTP-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide (PubChem CID 5077890) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
PubChem CID5077890
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-10(14)13(18)16-11(12(15)17)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRTINNOPAZIOQTP-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
benzyl (4R)-5-amino-4-(2-aminobutanoylamino)-5-oxopentanoate
CID 22814955
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
CID 134827658
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide (CID 5077890) is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide is CCC(N)C(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide?
The InChIKey is RTINNOPAZIOQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10(14)13(18)16-11(12(15)17)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide?
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide has a molecular weight of 249.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 5077890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).