4-oxo-3-(3-phenylpropanoylamino)pentanoic acid

C14H17NO4 — CID 22339955

IUPAC4-oxo-3-(3-phenylpropanoylamino)pentanoic acid
SMILESCC(=O)C(CC(=O)O)NC(=O)CCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(16)12(9-14(18)19)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyJWOFMODXIFRRKC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds7

About 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid

4-oxo-3-(3-phenylpropanoylamino)pentanoic acid (PubChem CID 22339955) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-oxo-3-(3-phenylpropanoylamino)pentanoic acid
PubChem CID22339955
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-oxo-3-(3-phenylpropanoylamino)pentanoic acid
SMILESCC(=O)C(CC(=O)O)NC(=O)CCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(16)12(9-14(18)19)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyJWOFMODXIFRRKC-UHFFFAOYSA-N
XLogP1.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-phenylpropanoylamino)butanedioic acid
CID 59098389
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
1-(3-phenylpropanoylamino)ethyl acetate
CID 174586690
CID 131882838
CID 131882838
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
methyl (2R)-2-(3-phenylpropanoylamino)-3-(trifluoromethylsulfonyl)propanoate
CID 101227987
(2S)-N'-tert-butyl-2-(3-phenylpropanoylamino)pentanediamide
CID 118234452
(4S)-5-amino-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid
CID 57336493
(4S,7R)-8-amino-7-methyl-5,8-dioxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]octanoic acid
CID 160753422

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid?
The IUPAC name of 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid (CID 22339955) is 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid.
What is the SMILES notation for 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid?
The canonical SMILES for 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid is CC(=O)C(CC(=O)O)NC(=O)CCc1ccccc1.
What is the InChIKey of 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid?
The InChIKey is JWOFMODXIFRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)12(9-14(18)19)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid?
4-oxo-3-(3-phenylpropanoylamino)pentanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(3-phenylpropanoylamino)pentanoic acid is sourced from PubChem (CID 22339955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).