2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid

C12H21NO3 — CID 120975213

IUPAC2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,3)6-7-13-10(14)8-4-5-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGCPMVKPFXLAWFH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds4

About 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid

2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120975213) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120975213
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CCNC(=O)C1CCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,3)6-7-13-10(14)8-4-5-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGCPMVKPFXLAWFH-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976004
2-(3-methylsulfanylpropylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974758
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221630
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527
2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 130240695
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120975213) is 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid is CC(C)(C)CCNC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is GCPMVKPFXLAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)6-7-13-10(14)8-4-5-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).