5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid

C12H21NO3 — CID 62933861

IUPAC5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCC1CCC1
InChIInChI=1S/C12H21NO3/c1-12(2,7-11(15)16)6-10(14)13-8-9-4-3-5-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXLJODHZBAADHFX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds6

About 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933861) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933861
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCC1CCC1
InChIInChI=1S/C12H21NO3/c1-12(2,7-11(15)16)6-10(14)13-8-9-4-3-5-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXLJODHZBAADHFX-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 62934562
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
3,3-dimethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-5-oxopentanoic acid
CID 113235529
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 62933861) is 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCC1CCC1.
What is the InChIKey of 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is XLJODHZBAADHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,7-11(15)16)6-10(14)13-8-9-4-3-5-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).