(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide

C14H26N2O3 — CID 69117200

IUPAC(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide
SMILESCOC1OCC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-18-14-12(7-8-19-14)16-13(17)11(15)9-10-5-3-2-4-6-10/h10-12,14H,2-9,15H2,1H3,(H,16,17)/t11-,12-,14?/m0/s1
InChIKeyVQVXGZSDCDXFII-VHBIQUBJSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds5

About (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide (PubChem CID 69117200) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide
PubChem CID69117200
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide
SMILESCOC1OCC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-18-14-12(7-8-19-14)16-13(17)11(15)9-10-5-3-2-4-6-10/h10-12,14H,2-9,15H2,1H3,(H,16,17)/t11-,12-,14?/m0/s1
InChIKeyVQVXGZSDCDXFII-VHBIQUBJSA-N
XLogP1.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide 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 (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide (CID 69117200) is (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide is COC1OCC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide?
The InChIKey is VQVXGZSDCDXFII-VHBIQUBJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-14-12(7-8-19-14)16-13(17)11(15)9-10-5-3-2-4-6-10/h10-12,14H,2-9,15H2,1H3,(H,16,17)/t11-,12-,14?/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide has a molecular weight of 270.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[(3S)-2-methoxyoxolan-3-yl]propanamide is sourced from PubChem (CID 69117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).