(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C18H33NO4 — CID 67798510

IUPAC(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)[C@@H](O)[C@@H]1OC(C)(C)N(C(=O)O)[C@H]1CC1CCCCC1
InChIInChI=1S/C18H33NO4/c1-17(2,3)15(20)14-13(11-12-9-7-6-8-10-12)19(16(21)22)18(4,5)23-14/h12-15,20H,6-11H2,1-5H3,(H,21,22)/t13-,14+,15-/m0/s1
InChIKeyVPZLMTJLTJPHEK-ZNMIVQPWSA-N
MW327.47 g/mol
LogP3.85
Rot. Bonds3

About (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67798510) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID67798510
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)[C@@H](O)[C@@H]1OC(C)(C)N(C(=O)O)[C@H]1CC1CCCCC1
InChIInChI=1S/C18H33NO4/c1-17(2,3)15(20)14-13(11-12-9-7-6-8-10-12)19(16(21)22)18(4,5)23-14/h12-15,20H,6-11H2,1-5H3,(H,21,22)/t13-,14+,15-/m0/s1
InChIKeyVPZLMTJLTJPHEK-ZNMIVQPWSA-N
XLogP3.85
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-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,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 67798510) is (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C)(C)[C@@H](O)[C@@H]1OC(C)(C)N(C(=O)O)[C@H]1CC1CCCCC1.
What is the InChIKey of (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is VPZLMTJLTJPHEK-ZNMIVQPWSA-N. The full InChI is InChI=1S/C18H33NO4/c1-17(2,3)15(20)14-13(11-12-9-7-6-8-10-12)19(16(21)22)18(4,5)23-14/h12-15,20H,6-11H2,1-5H3,(H,21,22)/t13-,14+,15-/m0/s1.
What are the key properties of (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 327.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(cyclohexylmethyl)-5-[(1R)-1-hydroxy-2,2-dimethylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67798510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).