2-carbamoyl-2,4-dimethylpentanoic acid

C8H15NO3 — CID 114899918

IUPAC2-carbamoyl-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)4-8(3,6(9)10)7(11)12/h5H,4H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyXKJMTOYAPGUWDT-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.61
Rot. Bonds4

About 2-carbamoyl-2,4-dimethylpentanoic acid

2-carbamoyl-2,4-dimethylpentanoic acid (PubChem CID 114899918) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-carbamoyl-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-carbamoyl-2,4-dimethylpentanoic acid
PubChem CID114899918
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-carbamoyl-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)4-8(3,6(9)10)7(11)12/h5H,4H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyXKJMTOYAPGUWDT-UHFFFAOYSA-N
XLogP0.61
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-carbamoyl-2,4-dimethylpentanoic 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

(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2-carbamoyl-2-methylpent-4-ynoic acid
CID 112692966
3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680
3,3,5-trimethylhexan-2-one
CID 2776079
2-carbamoyl-2-methylhex-5-enoic acid
CID 114899922
2-amino-4-methyl-2-oxaldehydoylpentanoic acid
CID 175537658
2-(aminooxymethyl)-2,4-dimethylpentanoic acid
CID 105436137

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-2,4-dimethylpentanoic acid?
The IUPAC name of 2-carbamoyl-2,4-dimethylpentanoic acid (CID 114899918) is 2-carbamoyl-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-carbamoyl-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-carbamoyl-2,4-dimethylpentanoic acid is CC(C)CC(C)(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-2,4-dimethylpentanoic acid?
The InChIKey is XKJMTOYAPGUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)4-8(3,6(9)10)7(11)12/h5H,4H2,1-3H3,(H2,9,10)(H,11,12).
What are the key properties of 2-carbamoyl-2,4-dimethylpentanoic acid?
2-carbamoyl-2,4-dimethylpentanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114899918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).