2-[benzoyl(2-carboxyethyl)amino]pentanoic acid

C15H19NO5 — CID 82324538

IUPAC2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-6-12(15(20)21)16(10-9-13(17)18)14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,18)(H,20,21)
InChIKeyYDTPPKOMXPPJJC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds8

About 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid

2-[benzoyl(2-carboxyethyl)amino]pentanoic acid (PubChem CID 82324538) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
PubChem CID82324538
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-6-12(15(20)21)16(10-9-13(17)18)14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,18)(H,20,21)
InChIKeyYDTPPKOMXPPJJC-UHFFFAOYSA-N
XLogP1.86
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
2-[benzoyl(methyl)amino]pentanedioic acid
CID 174836682
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
(2S)-2-[benzoyl-(2-chloroethylamino)amino]pentanedioic acid
CID 70022848
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
(2S)-2-(N-[(R)-2-carboxyethoxy(phenyl)methyl]anilino)pentanoic acid
CID 70088938
(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
CID 54225127

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid?
The IUPAC name of 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid (CID 82324538) is 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid?
The canonical SMILES for 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid?
The InChIKey is YDTPPKOMXPPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-6-12(15(20)21)16(10-9-13(17)18)14(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid?
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(2-carboxyethyl)amino]pentanoic acid is sourced from PubChem (CID 82324538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).