2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C14H17ClN2O3 — CID 62697159

IUPAC2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-5-10(15)6-11(8)17-12(18)7-16-13(14(19)20)9-3-4-9/h2,5-6,9,13,16H,3-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUWRYZUJIYZRKAI-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.04
Rot. Bonds6

About 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697159) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62697159
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-5-10(15)6-11(8)17-12(18)7-16-13(14(19)20)9-3-4-9/h2,5-6,9,13,16H,3-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUWRYZUJIYZRKAI-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
2-cyclopropyl-2-[[3-(2,5-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 62695617
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
2-cyclopropyl-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 62696180
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696419
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260
2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62697159) is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is Cc1ccc(Cl)cc1NC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is UWRYZUJIYZRKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-2-5-10(15)6-11(8)17-12(18)7-16-13(14(19)20)9-3-4-9/h2,5-6,9,13,16H,3-4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).