4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C12H21NO3 — CID 65300106

IUPAC4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(CC1CCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,11(15)16)7-10(14)13(3)8-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyYLHGLFURHRCQRO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds5

About 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300106) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300106
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(CC1CCC1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-12(2,11(15)16)7-10(14)13(3)8-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyYLHGLFURHRCQRO-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63633140
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65300106) is 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CN(CC1CCC1)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YLHGLFURHRCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,11(15)16)7-10(14)13(3)8-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).