2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid

C12H21NO4 — CID 120976511

IUPAC2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOC(CNC(=O)C1CCC1C(=O)O)C(C)C
InChIInChI=1S/C12H21NO4/c1-7(2)10(17-3)6-13-11(14)8-4-5-9(8)12(15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyFISWSRRIXLCGFK-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.88
Rot. Bonds6

About 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976511) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976511
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOC(CNC(=O)C1CCC1C(=O)O)C(C)C
InChIInChI=1S/C12H21NO4/c1-7(2)10(17-3)6-13-11(14)8-4-5-9(8)12(15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyFISWSRRIXLCGFK-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxy-3-methylbutyl)acetamide
CID 119813455
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106284398
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120976511) is 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid is COC(CNC(=O)C1CCC1C(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is FISWSRRIXLCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7(2)10(17-3)6-13-11(14)8-4-5-9(8)12(15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).