(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol

C11H25NO2 — CID 58497908

IUPAC(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol
SMILESCC[C@@H](CO)CCCN[C@@H](CC)CO
InChIInChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyBTYLBRUDSZZINH-MNOVXSKESA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds9

About (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol

(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol (PubChem CID 58497908) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol
PubChem CID58497908
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol
SMILESCC[C@@H](CO)CCCN[C@@H](CC)CO
InChIInChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyBTYLBRUDSZZINH-MNOVXSKESA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol (CID 58497908) is (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol is CC[C@@H](CO)CCCN[C@@H](CC)CO.
What is the InChIKey of (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
The InChIKey is BTYLBRUDSZZINH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol?
(2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-5-[[(2S)-1-hydroxybutan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 58497908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).