5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C13H23NO4 — CID 62933875

IUPAC5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBNYTULGXYHJMIC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.30
Rot. Bonds5

About 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933875) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933875
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyBNYTULGXYHJMIC-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic 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

N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934911
5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935081
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
N-cyclopropyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911934
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
N-cyclohexyl-3,3-dimethylhexanamide
CID 142647386
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933875) is 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is BNYTULGXYHJMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).