1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid

C13H14ClNO4 — CID 65450765

IUPAC1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CC2)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)19-7-11(16)15-13(4-5-13)12(17)18/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyAUVJIOFYTCZIFN-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.76
Rot. Bonds5

About 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65450765) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65450765
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CC2)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)19-7-11(16)15-13(4-5-13)12(17)18/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyAUVJIOFYTCZIFN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
bis(2-(4-chloro-3-methylphenoxy)acetohydrazide);2,3-dihydroxybutanedioic acid
CID 19169518
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
methyl 8-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 152614616
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (CID 65450765) is 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is Cc1cc(OCC(=O)NC2(C(=O)O)CC2)ccc1Cl.
What is the InChIKey of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is AUVJIOFYTCZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)19-7-11(16)15-13(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-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).