4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C15H27NO3 — CID 63633140

IUPAC4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-11(2)15(3,14(18)19)9-13(17)16(4)10-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyPVLJAYQABOTXBH-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds6

About 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 63633140) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID63633140
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-11(2)15(3,14(18)19)9-13(17)16(4)10-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyPVLJAYQABOTXBH-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63207711
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 63633140) is 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)N(C)CC1CCCC1)C(=O)O.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is PVLJAYQABOTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)15(3,14(18)19)9-13(17)16(4)10-12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 63633140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).