5-phenyl-4-(propanoylamino)pentanoic acid

C14H19NO3 — CID 120547072

IUPAC5-phenyl-4-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-13(16)15-12(8-9-14(17)18)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNDGUNDSIWQIPMP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds7

About 5-phenyl-4-(propanoylamino)pentanoic acid

5-phenyl-4-(propanoylamino)pentanoic acid (PubChem CID 120547072) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-phenyl-4-(propanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-(propanoylamino)pentanoic acid
PubChem CID120547072
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-phenyl-4-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-13(16)15-12(8-9-14(17)18)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNDGUNDSIWQIPMP-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(propanoylamino)pentanoic acid?
The IUPAC name of 5-phenyl-4-(propanoylamino)pentanoic acid (CID 120547072) is 5-phenyl-4-(propanoylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-4-(propanoylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-4-(propanoylamino)pentanoic acid is CCC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-(propanoylamino)pentanoic acid?
The InChIKey is NDGUNDSIWQIPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-13(16)15-12(8-9-14(17)18)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-phenyl-4-(propanoylamino)pentanoic acid?
5-phenyl-4-(propanoylamino)pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(propanoylamino)pentanoic acid is sourced from PubChem (CID 120547072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).