(2S,3R)-2-aminododecan-3-ol

C12H27NO — CID 5273358

IUPAC(2S,3R)-2-aminododecan-3-ol
SMILESCCCCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m0/s1
InChIKeyAGYWAEBSOUKZJQ-NWDGAFQWSA-N
MW201.35 g/mol
LogP2.84
Rot. Bonds9

About (2S,3R)-2-aminododecan-3-ol

(2S,3R)-2-aminododecan-3-ol (PubChem CID 5273358) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (2S,3R)-2-aminododecan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-aminododecan-3-ol
PubChem CID5273358
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(2S,3R)-2-aminododecan-3-ol
SMILESCCCCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m0/s1
InChIKeyAGYWAEBSOUKZJQ-NWDGAFQWSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminododecan-3-ol?
The IUPAC name of (2S,3R)-2-aminododecan-3-ol (CID 5273358) is (2S,3R)-2-aminododecan-3-ol.
What is the SMILES notation for (2S,3R)-2-aminododecan-3-ol?
The canonical SMILES for (2S,3R)-2-aminododecan-3-ol is CCCCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (2S,3R)-2-aminododecan-3-ol?
The InChIKey is AGYWAEBSOUKZJQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-2-aminododecan-3-ol?
(2S,3R)-2-aminododecan-3-ol has a molecular weight of 201.35 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminododecan-3-ol is sourced from PubChem (CID 5273358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).