3-(3-carboxypropanoylamino)-5-phenylpentanoic acid

C15H19NO5 — CID 57140323

IUPAC3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(=O)NC(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H19NO5/c17-13(8-9-14(18)19)16-12(10-15(20)21)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCRVRUVHJRTYBIX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds9

About 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid

3-(3-carboxypropanoylamino)-5-phenylpentanoic acid (PubChem CID 57140323) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
PubChem CID57140323
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(=O)NC(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H19NO5/c17-13(8-9-14(18)19)16-12(10-15(20)21)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCRVRUVHJRTYBIX-UHFFFAOYSA-N
XLogP1.44
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
CID 67359751
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
(2R)-2-(3-phenylpropanoylamino)butanedioic acid
CID 59098389
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
[3-carboxy-2-(11-phenylundecanoylamino)propyl]-trimethylazanium
CID 68994195
4-(dimethylamino)-3-(8-phenyloctanoylamino)butanoic acid
CID 66874111

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The IUPAC name of 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid (CID 57140323) is 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid is O=C(O)CCC(=O)NC(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The InChIKey is CRVRUVHJRTYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(8-9-14(18)19)16-12(10-15(20)21)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
3-(3-carboxypropanoylamino)-5-phenylpentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxypropanoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 57140323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).