(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid

C15H31NO4S — CID 130424239

IUPAC(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid
SMILESCCOC(C)(CCC(OC)[C@@H](N)C(C)SCC)CC(=O)O
InChIInChI=1S/C15H31NO4S/c1-6-20-15(4,10-13(17)18)9-8-12(19-5)14(16)11(3)21-7-2/h11-12,14H,6-10,16H2,1-5H3,(H,17,18)/t11?,12?,14-,15?/m0/s1
InChIKeyAVRWBVJFFHWDDV-LGJUIHJDSA-N
MW321.48 g/mol
LogP2.52
Rot. Bonds12

About (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid

(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid (PubChem CID 130424239) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid.

Molecular Properties

Compound Name(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid
PubChem CID130424239
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC Name(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid
SMILESCCOC(C)(CCC(OC)[C@@H](N)C(C)SCC)CC(=O)O
InChIInChI=1S/C15H31NO4S/c1-6-20-15(4,10-13(17)18)9-8-12(19-5)14(16)11(3)21-7-2/h11-12,14H,6-10,16H2,1-5H3,(H,17,18)/t11?,12?,14-,15?/m0/s1
InChIKeyAVRWBVJFFHWDDV-LGJUIHJDSA-N
XLogP2.52
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic 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 (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid?
The IUPAC name of (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid (CID 130424239) is (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid.
What is the SMILES notation for (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid?
The canonical SMILES for (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid is CCOC(C)(CCC(OC)[C@@H](N)C(C)SCC)CC(=O)O.
What is the InChIKey of (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid?
The InChIKey is AVRWBVJFFHWDDV-LGJUIHJDSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-6-20-15(4,10-13(17)18)9-8-12(19-5)14(16)11(3)21-7-2/h11-12,14H,6-10,16H2,1-5H3,(H,17,18)/t11?,12?,14-,15?/m0/s1.
What are the key properties of (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid?
(7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid has a molecular weight of 321.48 g/mol, XLogP of 2.52, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-amino-3-ethoxy-8-ethylsulfanyl-6-methoxy-3-methylnonanoic acid is sourced from PubChem (CID 130424239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).