(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid

C14H25NO4 — CID 67883901

IUPAC(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid
SMILESCC1CC(OC(=O)[C@@H](N)CCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-9-6-10(8-14(2,3)7-9)19-13(18)11(15)4-5-12(16)17/h9-11H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyAOBNAJDTVBAHSV-ILDUYXDCSA-N
MW271.36 g/mol
LogP1.94
Rot. Bonds5

About (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid

(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid (PubChem CID 67883901) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid
PubChem CID67883901
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid
SMILESCC1CC(OC(=O)[C@@H](N)CCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-9-6-10(8-14(2,3)7-9)19-13(18)11(15)4-5-12(16)17/h9-11H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyAOBNAJDTVBAHSV-ILDUYXDCSA-N
XLogP1.94
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic 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

(3,3,5-trimethylcyclohexyl) (2S)-2-amino-3-hydroxypropanoate
CID 61303672
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
(3,3,5-trimethylcyclohexyl) (2R)-2-amino-3,3-dimethylbutanoate
CID 113353136
(3S)-3-acetamido-4-oxo-4-(3,3,5-trimethylcyclohexyl)oxybutanoic acid
CID 22845141
3-acetamido-4-oxo-4-(3,3,5-trimethylcyclohexyl)oxybutanoic acid
CID 19742993
(3,3,5-trimethylcyclohexyl) 2-(aminomethyl)-4,4-dimethylpentanoate
CID 107475315
(3,3,5-trimethylcyclohexyl) 4-aminobutanoate
CID 61304471
(3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)propanoate
CID 3045118
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
(4S)-4-amino-5-oxo-5-[[(3R,5R,8S,9S,10S,13R,14S,17S)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentanoic acid
CID 130339205
(3,3,5-trimethylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 71616044
(3,3,5-trimethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799049

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid (CID 67883901) is (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid is CC1CC(OC(=O)[C@@H](N)CCC(=O)O)CC(C)(C)C1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid?
The InChIKey is AOBNAJDTVBAHSV-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-6-10(8-14(2,3)7-9)19-13(18)11(15)4-5-12(16)17/h9-11H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid?
(4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(3,3,5-trimethylcyclohexyl)oxypentanoic acid is sourced from PubChem (CID 67883901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).