5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid

C14H18ClNO5 — CID 62032676

IUPAC5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
SMILESCOc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO5/c1-20-11-8-9(7-10(15)13(11)21-2)14(19)16-6-4-3-5-12(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFXVUZPDCZZMHNT-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.34
Rot. Bonds8

About 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid

5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid (PubChem CID 62032676) has the molecular formula C14H18ClNO5 and a molecular weight of 315.75 g/mol. Its IUPAC name is 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
PubChem CID62032676
Molecular FormulaC14H18ClNO5
Molecular Weight315.75 g/mol
Exact Mass315.09
IUPAC Name5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
SMILESCOc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO5/c1-20-11-8-9(7-10(15)13(11)21-2)14(19)16-6-4-3-5-12(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFXVUZPDCZZMHNT-UHFFFAOYSA-N
XLogP2.34
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid (CID 62032676) is 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid is COc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OC.
What is the InChIKey of 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid?
The InChIKey is FXVUZPDCZZMHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5/c1-20-11-8-9(7-10(15)13(11)21-2)14(19)16-6-4-3-5-12(17)18/h7-8H,3-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid?
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid has a molecular weight of 315.75 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 62032676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).