2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid

C16H19NO6 — CID 108796206

IUPAC2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CCCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C16H19NO6/c18-13(11-5-2-1-3-6-11)7-4-8-14(19)17-12(16(22)23)9-10-15(20)21/h1-3,5-6,12H,4,7-10H2,(H,17,19)(H,20,21)(H,22,23)
InChIKeyCKIYXSVNIQLLDM-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.47
Rot. Bonds10

About 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid

2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid (PubChem CID 108796206) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
PubChem CID108796206
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CCCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C16H19NO6/c18-13(11-5-2-1-3-6-11)7-4-8-14(19)17-12(16(22)23)9-10-15(20)21/h1-3,5-6,12H,4,7-10H2,(H,17,19)(H,20,21)(H,22,23)
InChIKeyCKIYXSVNIQLLDM-UHFFFAOYSA-N
XLogP1.47
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
2-[(4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid
CID 13294988
(E)-2-[(4-oxo-4-phenylbutanoyl)amino]hex-4-enoic acid
CID 120693440
4-ethylsulfanyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoic acid
CID 108744572
5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390809
2-[(3-oxo-3-phenylpropanoyl)amino]butanedioic acid
CID 110465917
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2R)-2-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-phenylpropanoic acid
CID 119367142

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid (CID 108796206) is 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)CCCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid?
The InChIKey is CKIYXSVNIQLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c18-13(11-5-2-1-3-6-11)7-4-8-14(19)17-12(16(22)23)9-10-15(20)21/h1-3,5-6,12H,4,7-10H2,(H,17,19)(H,20,21)(H,22,23).
What are the key properties of 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid?
2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid has a molecular weight of 321.33 g/mol, XLogP of 1.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid is sourced from PubChem (CID 108796206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).