2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid

C17H25NO3 — CID 43630457

IUPAC2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)O
InChIInChI=1S/C17H25NO3/c1-7-8-14(17(20)21)18-16(19)15-12(5)10(3)9(2)11(4)13(15)6/h14H,7-8H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyCXYPLMRZSTVKAS-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.21
Rot. Bonds5

About 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid

2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid (PubChem CID 43630457) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
PubChem CID43630457
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)O
InChIInChI=1S/C17H25NO3/c1-7-8-14(17(20)21)18-16(19)15-12(5)10(3)9(2)11(4)13(15)6/h14H,7-8H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyCXYPLMRZSTVKAS-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid (CID 43630457) is 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)O.
What is the InChIKey of 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid?
The InChIKey is CXYPLMRZSTVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-7-8-14(17(20)21)18-16(19)15-12(5)10(3)9(2)11(4)13(15)6/h14H,7-8H2,1-6H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid?
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43630457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).