2-[(2-methoxyphenyl)carbamoylamino]butanoic acid

C12H16N2O4 — CID 43469980

IUPAC2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-8(11(15)16)13-12(17)14-9-6-4-5-7-10(9)18-2/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyDBNKRFZELOTAHK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.68
Rot. Bonds5

About 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid

2-[(2-methoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 43469980) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
PubChem CID43469980
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-8(11(15)16)13-12(17)14-9-6-4-5-7-10(9)18-2/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyDBNKRFZELOTAHK-UHFFFAOYSA-N
XLogP1.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid (CID 43469980) is 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid is CCC(NC(=O)Nc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is DBNKRFZELOTAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-8(11(15)16)13-12(17)14-9-6-4-5-7-10(9)18-2/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid?
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 43469980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).