4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid

C15H30N2O3 — CID 62049861

IUPAC4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-13(2,3)10-15(6,7)17-12(20)16-14(4,5)9-8-11(18)19/h8-10H2,1-7H3,(H,18,19)(H2,16,17,20)
InChIKeyILTIBHUVMPLAEL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid

4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 62049861) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
PubChem CID62049861
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-13(2,3)10-15(6,7)17-12(20)16-14(4,5)9-8-11(18)19/h8-10H2,1-7H3,(H,18,19)(H2,16,17,20)
InChIKeyILTIBHUVMPLAEL-UHFFFAOYSA-N
XLogP3.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)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

1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
3,3,3-trifluoro-2-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 79788617
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
4-methyl-4-(5-methylsulfanylpentylcarbamoylamino)pentanoic acid
CID 114128566
4-(1-cyclopropylethylcarbamoylamino)-4-methylpentanoic acid
CID 62047793
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 122087152
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid (CID 62049861) is 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid is CC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is ILTIBHUVMPLAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13(2,3)10-15(6,7)17-12(20)16-14(4,5)9-8-11(18)19/h8-10H2,1-7H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid?
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62049861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).