1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H14ClNO4 — CID 115449594

IUPAC1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-6-8(14)2-3-9(10)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyTWTJGXQCDICDDW-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.94
Rot. Bonds5

About 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449594) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449594
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-6-8(14)2-3-9(10)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyTWTJGXQCDICDDW-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-bromo-2-methoxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361676
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
4-[[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120690062
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242903
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449594) is 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is COc1cc(Cl)ccc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is TWTJGXQCDICDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-19-10-6-8(14)2-3-9(10)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).