2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid

C12H11Cl2NO3 — CID 62694940

IUPAC2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-7-2-1-3-8(14)9(7)11(16)15-10(12(17)18)6-4-5-6/h1-3,6,10H,4-5H2,(H,15,16)(H,17,18)
InChIKeyCCZGREFDMOKWTK-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid

2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid (PubChem CID 62694940) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
PubChem CID62694940
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-7-2-1-3-8(14)9(7)11(16)15-10(12(17)18)6-4-5-6/h1-3,6,10H,4-5H2,(H,15,16)(H,17,18)
InChIKeyCCZGREFDMOKWTK-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62709327
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
CID 103256046
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489
2-[2-(2-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 119213148
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid (CID 62694940) is 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid?
The InChIKey is CCZGREFDMOKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-7-2-1-3-8(14)9(7)11(16)15-10(12(17)18)6-4-5-6/h1-3,6,10H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid has a molecular weight of 288.13 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid is sourced from PubChem (CID 62694940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).