2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid

C11H13ClN2O3 — CID 43466013

IUPAC2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1c(Cl)cccc1NC(=O)CNCC(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-10(15)5-13-6-11(16)17/h2-4,13H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyQXJQIRYBFQIAEQ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid

2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 43466013) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID43466013
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1c(Cl)cccc1NC(=O)CNCC(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-10(15)5-13-6-11(16)17/h2-4,13H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyQXJQIRYBFQIAEQ-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid (CID 43466013) is 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid is Cc1c(Cl)cccc1NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is QXJQIRYBFQIAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-10(15)5-13-6-11(16)17/h2-4,13H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 256.69 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).