2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid

C13H23NO3 — CID 107416703

IUPAC2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
SMILESCC1CCCC1CNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-9-5-4-6-10(9)8-14-11(15)7-13(2,3)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRFZGDLNYAPJPMV-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds5

About 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid (PubChem CID 107416703) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
PubChem CID107416703
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
SMILESCC1CCCC1CNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-9-5-4-6-10(9)8-14-11(15)7-13(2,3)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRFZGDLNYAPJPMV-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
2-[2-[(2-methylcyclohexyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569777
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid (CID 107416703) is 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid is CC1CCCC1CNC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid?
The InChIKey is RFZGDLNYAPJPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9-5-4-6-10(9)8-14-11(15)7-13(2,3)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107416703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).