5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid

C14H19N3O4 — CID 62487551

IUPAC5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(N)(C(=O)NC(CCC(N)=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O4/c1-14(16,9-5-3-2-4-6-9)13(21)17-10(12(19)20)7-8-11(15)18/h2-6,10H,7-8,16H2,1H3,(H2,15,18)(H,17,21)(H,19,20)
InChIKeyVNKBIWSIGMTIKF-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.30
Rot. Bonds7

About 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid

5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid (PubChem CID 62487551) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
PubChem CID62487551
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(N)(C(=O)NC(CCC(N)=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O4/c1-14(16,9-5-3-2-4-6-9)13(21)17-10(12(19)20)7-8-11(15)18/h2-6,10H,7-8,16H2,1H3,(H2,15,18)(H,17,21)(H,19,20)
InChIKeyVNKBIWSIGMTIKF-UHFFFAOYSA-N
XLogP-0.30
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylsulfanylbutanoic acid
CID 62489293
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 174866126
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
CID 68604008
CID 68604008

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid (CID 62487551) is 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid is CC(N)(C(=O)NC(CCC(N)=O)C(=O)O)c1ccccc1.
What is the InChIKey of 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid?
The InChIKey is VNKBIWSIGMTIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(16,9-5-3-2-4-6-9)13(21)17-10(12(19)20)7-8-11(15)18/h2-6,10H,7-8,16H2,1H3,(H2,15,18)(H,17,21)(H,19,20).
What are the key properties of 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of -0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62487551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).