4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid

C16H24N2O3 — CID 62050370

IUPAC4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(21)18-16(3,4)10-9-14(19)20/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyTWLBZIWNZKIILA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.57
Rot. Bonds6

About 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid

4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid (PubChem CID 62050370) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
PubChem CID62050370
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(21)18-16(3,4)10-9-14(19)20/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyTWLBZIWNZKIILA-UHFFFAOYSA-N
XLogP3.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic 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

4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-[[4-(1-cyanoethylsulfonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091461
4-[[4-(3-methoxy-3-oxopropyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122079578
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076790
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
4-methyl-4-[[4-(oxolan-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122094321
4-methyl-4-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122089266
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid (CID 62050370) is 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid is CC(C)c1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is TWLBZIWNZKIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)12-5-7-13(8-6-12)17-15(21)18-16(3,4)10-9-14(19)20/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 62050370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).