(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid

C19H35NO4 — CID 70041828

IUPAC(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid
SMILESCCC(O)(CC)C[C@]1(C(=O)O)OC(C)(C)N[C@H]1CC1CCCCC1
InChIInChI=1S/C19H35NO4/c1-5-18(23,6-2)13-19(16(21)22)15(20-17(3,4)24-19)12-14-10-8-7-9-11-14/h14-15,20,23H,5-13H2,1-4H3,(H,21,22)/t15-,19-/m0/s1
InChIKeyCGKXBIOTXAVLQX-KXBFYZLASA-N
MW341.49 g/mol
LogP3.45
Rot. Bonds7

About (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid

(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 70041828) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID70041828
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid
SMILESCCC(O)(CC)C[C@]1(C(=O)O)OC(C)(C)N[C@H]1CC1CCCCC1
InChIInChI=1S/C19H35NO4/c1-5-18(23,6-2)13-19(16(21)22)15(20-17(3,4)24-19)12-14-10-8-7-9-11-14/h14-15,20,23H,5-13H2,1-4H3,(H,21,22)/t15-,19-/m0/s1
InChIKeyCGKXBIOTXAVLQX-KXBFYZLASA-N
XLogP3.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid (CID 70041828) is (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid is CCC(O)(CC)C[C@]1(C(=O)O)OC(C)(C)N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is CGKXBIOTXAVLQX-KXBFYZLASA-N. The full InChI is InChI=1S/C19H35NO4/c1-5-18(23,6-2)13-19(16(21)22)15(20-17(3,4)24-19)12-14-10-8-7-9-11-14/h14-15,20,23H,5-13H2,1-4H3,(H,21,22)/t15-,19-/m0/s1.
What are the key properties of (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid?
(4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 341.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(cyclohexylmethyl)-5-(2-ethyl-2-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 70041828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).