2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid

C14H23NO3 — CID 114096791

IUPAC2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C14H23NO3/c1-13(2,3)10(12(17)18)11(16)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVPEIKZIQKGMRJA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds5

About 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid

2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 114096791) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
PubChem CID114096791
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C14H23NO3/c1-13(2,3)10(12(17)18)11(16)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyVPEIKZIQKGMRJA-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic 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-amino-N-[(1-cyclopropylcyclopropyl)methyl]propanamide
CID 103950896
(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 114096697
2-[(4-ethylcyclohexyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537018
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
3,3-dimethyl-2-[(2-methylcyclopropyl)methylcarbamoyl]butanoic acid
CID 116537477
(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 114096668
2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 113364459
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 103841216
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(3-methylbutyl)propanamide
CID 113323199
2-(3-methoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536707

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid (CID 114096791) is 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)C(=O)NCC1(C2CC2)CC1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is VPEIKZIQKGMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2,3)10(12(17)18)11(16)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid?
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114096791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).