4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid

C11H19NO3 — CID 63632290

IUPAC4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(CC1CCCC1)C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-12(8-9-4-2-3-5-9)10(13)6-7-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJQRNBVIKGCGGRX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid

4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid (PubChem CID 63632290) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
PubChem CID63632290
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(CC1CCCC1)C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-12(8-9-4-2-3-5-9)10(13)6-7-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJQRNBVIKGCGGRX-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 62861745
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid (CID 63632290) is 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid is CN(CC1CCCC1)C(=O)CCC(=O)O.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid?
The InChIKey is JQRNBVIKGCGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(8-9-4-2-3-5-9)10(13)6-7-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid?
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 63632290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).