(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol

C13H19NO2 — CID 102246332

IUPAC(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
SMILESC=CC[C@](N)(CO)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-8-13(14,10-15)11-16-9-12-6-4-3-5-7-12/h2-7,15H,1,8-11,14H2/t13-/m0/s1
InChIKeyYKDGRIYMMWCSFY-ZDUSSCGKSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds7

About (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol

(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol (PubChem CID 102246332) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
PubChem CID102246332
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
SMILESC=CC[C@](N)(CO)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-8-13(14,10-15)11-16-9-12-6-4-3-5-7-12/h2-7,15H,1,8-11,14H2/t13-/m0/s1
InChIKeyYKDGRIYMMWCSFY-ZDUSSCGKSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
CID 176894783
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
4-benzylhepta-1,6-dien-4-amine
CID 15310873
2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
6,6-bis(phenylmethoxymethyl)non-8-en-3-yn-2-one
CID 101213115
[2,7,7-tris(phenylmethoxymethyl)-2-prop-2-enyldeca-4,9-diynoxy]methylbenzene
CID 101022149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The IUPAC name of (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol (CID 102246332) is (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The canonical SMILES for (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol is C=CC[C@](N)(CO)COCc1ccccc1.
What is the InChIKey of (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The InChIKey is YKDGRIYMMWCSFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-8-13(14,10-15)11-16-9-12-6-4-3-5-7-12/h2-7,15H,1,8-11,14H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol?
(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 102246332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).