2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid

C11H13ClN2O4 — CID 82502059

IUPAC2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
SMILESCOc1cc(C)c(Cl)cc1NC(=O)NCC(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-6-3-9(18-2)8(4-7(6)12)14-11(17)13-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyMJAZDPIHPAKGDZ-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.86
Rot. Bonds4

About 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid

2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid (PubChem CID 82502059) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
PubChem CID82502059
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
SMILESCOc1cc(C)c(Cl)cc1NC(=O)NCC(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-6-3-9(18-2)8(4-7(6)12)14-11(17)13-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyMJAZDPIHPAKGDZ-UHFFFAOYSA-N
XLogP1.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
2-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid (CID 82502059) is 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid is COc1cc(C)c(Cl)cc1NC(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is MJAZDPIHPAKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-6-3-9(18-2)8(4-7(6)12)14-11(17)13-5-10(15)16/h3-4H,5H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid?
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 272.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82502059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).