2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

C12H16N2O4 — CID 43469978

IUPAC2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-10(11(15)16)14-12(17)13-8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyJQTZXYYGEHPZJP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.68
Rot. Bonds5

About 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 43469978) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
PubChem CID43469978
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-10(11(15)16)14-12(17)13-8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyJQTZXYYGEHPZJP-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

(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
2-[(4-methoxyphenyl)carbamoylamino]-4-sulfanylbutanoic acid
CID 114212634
(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (CID 43469978) is 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid is CCC(NC(=O)Nc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is JQTZXYYGEHPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-10(11(15)16)14-12(17)13-8-4-6-9(18-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
2-[(4-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-[(4-methoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 43469978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).