4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid

C15H22N2O4 — CID 62480410

IUPAC4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)11-5-4-6-12(9-11)16-15(20)17-13(14(18)19)7-8-21-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGLYLIXGXJWLGKA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.42
Rot. Bonds7

About 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid

4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid (PubChem CID 62480410) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
PubChem CID62480410
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)11-5-4-6-12(9-11)16-15(20)17-13(14(18)19)7-8-21-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGLYLIXGXJWLGKA-UHFFFAOYSA-N
XLogP2.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
2-[(3-cyanophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478436
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
2-[(3-ethylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086104
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480081

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid (CID 62480410) is 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid is COCCC(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid?
The InChIKey is GLYLIXGXJWLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)11-5-4-6-12(9-11)16-15(20)17-13(14(18)19)7-8-21-3/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid?
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 62480410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).