2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid

C15H21NO5 — CID 43630471

IUPAC2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-6-11(15(18)19)16-14(17)10-7-12(20-3)9(2)13(8-10)21-4/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySONDWRYYJOASKS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.00
Rot. Bonds7

About 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid

2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid (PubChem CID 43630471) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
PubChem CID43630471
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-6-11(15(18)19)16-14(17)10-7-12(20-3)9(2)13(8-10)21-4/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySONDWRYYJOASKS-UHFFFAOYSA-N
XLogP2.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
2-[(3-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 83767973
4-methylsulfonyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 21402561
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2S)-2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]hexanoic acid
CID 120614500
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
(2S)-2-[(4-hydroxy-3,5-dimethoxybenzoyl)amino]butanedioic acid
CID 100914230
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid (CID 43630471) is 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid?
The InChIKey is SONDWRYYJOASKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-6-11(15(18)19)16-14(17)10-7-12(20-3)9(2)13(8-10)21-4/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid?
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43630471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).