2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid

C10H11ClN2O4 — CID 82500241

IUPAC2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
SMILESCOc1ccc(NC(=O)NCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O4/c1-17-6-2-3-8(7(11)4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUNOBPWDJYQCECX-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.55
Rot. Bonds4

About 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid

2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid (PubChem CID 82500241) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
PubChem CID82500241
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
SMILESCOc1ccc(NC(=O)NCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O4/c1-17-6-2-3-8(7(11)4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUNOBPWDJYQCECX-UHFFFAOYSA-N
XLogP1.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
CID 86862773
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
1-(2-chloro-4-methoxyphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86876809
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid (CID 82500241) is 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid is COc1ccc(NC(=O)NCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid?
The InChIKey is UNOBPWDJYQCECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-17-6-2-3-8(7(11)4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid?
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid has a molecular weight of 258.66 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82500241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).