5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid

C14H18N2O4 — CID 123313269

IUPAC5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H18N2O4/c15-14(20)11(9-10-5-2-1-3-6-10)16-12(17)7-4-8-13(18)19/h1-3,5-6,11H,4,7-9H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyYBYMNZBRPWYVMN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.45
Rot. Bonds8

About 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid

5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 123313269) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
PubChem CID123313269
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H18N2O4/c15-14(20)11(9-10-5-2-1-3-6-10)16-12(17)7-4-8-13(18)19/h1-3,5-6,11H,4,7-9H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyYBYMNZBRPWYVMN-UHFFFAOYSA-N
XLogP0.45
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
(2S)-2-[[(1S)-4-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-carboxy-4-oxobutyl]carbamoylamino]pentanedioic acid
CID 126702193
5-[[(2R)-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-5-oxopentanoic acid
CID 58789915
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid;naphthalen-2-amine
CID 161392027
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
5-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 166842954
benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
CID 4075951

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid (CID 123313269) is 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid is NC(=O)C(Cc1ccccc1)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is YBYMNZBRPWYVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(20)11(9-10-5-2-1-3-6-10)16-12(17)7-4-8-13(18)19/h1-3,5-6,11H,4,7-9H2,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 123313269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).