2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid

C13H13ClFNO3 — CID 54945915

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H13ClFNO3/c14-10-2-1-3-11(15)9(10)6-12(17)16(7-13(18)19)8-4-5-8/h1-3,8H,4-7H2,(H,18,19)
InChIKeyOVDZAGCLFHCVCJ-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.10
Rot. Bonds5

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid

2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid (PubChem CID 54945915) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
PubChem CID54945915
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H13ClFNO3/c14-10-2-1-3-11(15)9(10)6-12(17)16(7-13(18)19)8-4-5-8/h1-3,8H,4-7H2,(H,18,19)
InChIKeyOVDZAGCLFHCVCJ-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
CID 39402744
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid (CID 54945915) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid?
The InChIKey is OVDZAGCLFHCVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c14-10-2-1-3-11(15)9(10)6-12(17)16(7-13(18)19)8-4-5-8/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid has a molecular weight of 285.70 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).