2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

C11H12N2O5 — CID 61181463

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-18-9(14)6-12-11(17)13-8-5-3-2-4-7(8)10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyNVOVVHJHFSVPMB-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.68
Rot. Bonds4

About 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (PubChem CID 61181463) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
PubChem CID61181463
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O5/c1-18-9(14)6-12-11(17)13-8-5-3-2-4-7(8)10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyNVOVVHJHFSVPMB-UHFFFAOYSA-N
XLogP0.68
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63111670
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181802
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
2-[2-(2-methylprop-2-enoylamino)ethylcarbamoylamino]benzoic acid
CID 20608041
2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]benzoic acid
CID 106039159
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
CID 170843062
CID 170843062
4-[2-[(2-methoxycarbonylphenyl)carbamoylamino]ethyl]benzoic acid
CID 170554504

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (CID 61181463) is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is COC(=O)CNC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The InChIKey is NVOVVHJHFSVPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-18-9(14)6-12-11(17)13-8-5-3-2-4-7(8)10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid has a molecular weight of 252.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61181463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).