2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid

C15H27NO4 — CID 115358209

IUPAC2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-15(4-2,13(19)20)9-12(18)16-10-14(11-17)7-5-6-8-14/h17H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJSXZOOGCRMDNKT-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.94
Rot. Bonds8

About 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid

2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid (PubChem CID 115358209) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
PubChem CID115358209
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC1(CO)CCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-15(4-2,13(19)20)9-12(18)16-10-14(11-17)7-5-6-8-14/h17H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJSXZOOGCRMDNKT-UHFFFAOYSA-N
XLogP1.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
CID 83107807
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
2,2-diethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-oxobutanoic acid
CID 65116591
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
2,2-diethyl-4-[(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 54867747
2,2-diethyl-4-(3-methylbut-2-enylamino)-4-oxobutanoic acid
CID 103517333
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570230
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid (CID 115358209) is 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NCC1(CO)CCCC1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid?
The InChIKey is JSXZOOGCRMDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-15(4-2,13(19)20)9-12(18)16-10-14(11-17)7-5-6-8-14/h17H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid?
2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid has a molecular weight of 285.38 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 115358209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).