(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol

C9H19NO2 — CID 130367669

IUPAC(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol
SMILESC=CC[C@H](C)NC[C@@H](O)COC
InChIInChI=1S/C9H19NO2/c1-4-5-8(2)10-6-9(11)7-12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyUJHZXDFSOOQZRO-DTWKUNHWSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

About (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol

(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol (PubChem CID 130367669) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol
PubChem CID130367669
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol
SMILESC=CC[C@H](C)NC[C@@H](O)COC
InChIInChI=1S/C9H19NO2/c1-4-5-8(2)10-6-9(11)7-12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyUJHZXDFSOOQZRO-DTWKUNHWSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol 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 (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol (CID 130367669) is (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol is C=CC[C@H](C)NC[C@@H](O)COC.
What is the InChIKey of (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol?
The InChIKey is UJHZXDFSOOQZRO-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-8(2)10-6-9(11)7-12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol?
(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol is sourced from PubChem (CID 130367669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).