(2S,3S)-2-aminoundecan-3-ol

C11H25NO — CID 132514193

IUPAC(2S,3S)-2-aminoundecan-3-ol
SMILESCCCCCCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-9-11(13)10(2)12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1
InChIKeyWLEYAJSBNRYSFR-QWRGUYRKSA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds8

About (2S,3S)-2-aminoundecan-3-ol

(2S,3S)-2-aminoundecan-3-ol (PubChem CID 132514193) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2S,3S)-2-aminoundecan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-aminoundecan-3-ol
PubChem CID132514193
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2S,3S)-2-aminoundecan-3-ol
SMILESCCCCCCCC[C@H](O)[C@H](C)N
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-9-11(13)10(2)12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1
InChIKeyWLEYAJSBNRYSFR-QWRGUYRKSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminotetradecan-3-ol
CID 10198494
1-aminooctadecane-1,2-diol
CID 54498715
nonacosane-14,15-diol
CID 91509633
13-aminoheptacosan-12-ol
CID 118194809
(2R,3S)-dodecane-2,3-diol
CID 163394646
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3S)-2-aminohexan-3-ol
CID 55285025
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
10,18-diaminooctadecan-9-ol
CID 19842914
4-amino-2-methylundecan-5-ol
CID 72805371

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-aminoundecan-3-ol?
The IUPAC name of (2S,3S)-2-aminoundecan-3-ol (CID 132514193) is (2S,3S)-2-aminoundecan-3-ol.
What is the SMILES notation for (2S,3S)-2-aminoundecan-3-ol?
The canonical SMILES for (2S,3S)-2-aminoundecan-3-ol is CCCCCCCC[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S)-2-aminoundecan-3-ol?
The InChIKey is WLEYAJSBNRYSFR-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-4-5-6-7-8-9-11(13)10(2)12/h10-11,13H,3-9,12H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-aminoundecan-3-ol?
(2S,3S)-2-aminoundecan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-aminoundecan-3-ol is sourced from PubChem (CID 132514193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).