2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid

C15H18ClNO5 — CID 119195213

IUPAC2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
SMILESCCOc1c(Cl)cc(C(=O)N(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C15H18ClNO5/c1-3-22-14-11(16)6-9(7-12(14)21-2)15(20)17(8-13(18)19)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyFJNNFAWZHGDHDP-UHFFFAOYSA-N
MW327.76 g/mol
LogP2.44
Rot. Bonds7

About 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid

2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid (PubChem CID 119195213) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
PubChem CID119195213
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
SMILESCCOc1c(Cl)cc(C(=O)N(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C15H18ClNO5/c1-3-22-14-11(16)6-9(7-12(14)21-2)15(20)17(8-13(18)19)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyFJNNFAWZHGDHDP-UHFFFAOYSA-N
XLogP2.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
3-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 119212364
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353
3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 55412139
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55539623
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid (CID 119195213) is 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid is CCOc1c(Cl)cc(C(=O)N(CC(=O)O)C2CC2)cc1OC.
What is the InChIKey of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid?
The InChIKey is FJNNFAWZHGDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO5/c1-3-22-14-11(16)6-9(7-12(14)21-2)15(20)17(8-13(18)19)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid?
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid has a molecular weight of 327.76 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).