2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid

C12H11Cl2NO3 — CID 54946136

IUPAC2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H11Cl2NO3/c13-9-4-1-7(5-10(9)14)12(18)15(6-11(16)17)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,17)
InChIKeyVWGYTPZXBNVBMS-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.68
Rot. Bonds4

About 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid

2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid (PubChem CID 54946136) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
PubChem CID54946136
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H11Cl2NO3/c13-9-4-1-7(5-10(9)14)12(18)15(6-11(16)17)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,17)
InChIKeyVWGYTPZXBNVBMS-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 114219365
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
CID 119194650

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid (CID 54946136) is 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid is O=C(O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid?
The InChIKey is VWGYTPZXBNVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-9-4-1-7(5-10(9)14)12(18)15(6-11(16)17)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid?
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid has a molecular weight of 288.13 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid is sourced from PubChem (CID 54946136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).