4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

C15H22N2O4 — CID 122085552

IUPAC4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCc1cc(NC(=O)NCCCC(=O)O)ccc1OC(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)21-13-7-6-12(9-11(13)3)17-15(20)16-8-4-5-14(18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyACOUWFKYZZPHDI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.77
Rot. Bonds7

About 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (PubChem CID 122085552) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
PubChem CID122085552
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCc1cc(NC(=O)NCCCC(=O)O)ccc1OC(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)21-13-7-6-12(9-11(13)3)17-15(20)16-8-4-5-14(18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyACOUWFKYZZPHDI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 122094954
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 122150088
4-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoylamino]butanoic acid
CID 122091932
4-[[3-(dimethylsulfamoyl)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122073881
4-[[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122092297
4-[(3,4-dicyanophenyl)carbamoylamino]butanoic acid
CID 107792046
4-[(4-bromo-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 82859610

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (CID 122085552) is 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is Cc1cc(NC(=O)NCCCC(=O)O)ccc1OC(C)C.
What is the InChIKey of 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is ACOUWFKYZZPHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)21-13-7-6-12(9-11(13)3)17-15(20)16-8-4-5-14(18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122085552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).