[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol

C7H14ClNO2 — CID 88980007

IUPAC[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C(CN)C1Cl
InChIInChI=1S/C7H14ClNO2/c1-4-7(8)5(2-9)6(3-10)11-4/h4-7,10H,2-3,9H2,1H3/t4-,5?,6+,7?/m0/s1
InChIKeyVGAQUZYZKBTMKL-RDRGIUDTSA-N
MW179.65 g/mol
LogP-0.05
Rot. Bonds2

About [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol

[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol (PubChem CID 88980007) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol
PubChem CID88980007
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C(CN)C1Cl
InChIInChI=1S/C7H14ClNO2/c1-4-7(8)5(2-9)6(3-10)11-4/h4-7,10H,2-3,9H2,1H3/t4-,5?,6+,7?/m0/s1
InChIKeyVGAQUZYZKBTMKL-RDRGIUDTSA-N
XLogP-0.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol 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

(2S,3R,4S)-4-chloro-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 58758259
(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 88976527
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol
CID 118011916
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol (CID 88980007) is [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol is C[C@@H]1O[C@H](CO)C(CN)C1Cl.
What is the InChIKey of [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol?
The InChIKey is VGAQUZYZKBTMKL-RDRGIUDTSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-4-7(8)5(2-9)6(3-10)11-4/h4-7,10H,2-3,9H2,1H3/t4-,5?,6+,7?/m0/s1.
What are the key properties of [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol?
[(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol has a molecular weight of 179.65 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-3-(aminomethyl)-4-chloro-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 88980007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).