(2S)-4-amino-2-ethoxypentan-2-ol

C7H17NO2 — CID 163736531

IUPAC(2S)-4-amino-2-ethoxypentan-2-ol
SMILESCCO[C@](C)(O)CC(C)N
InChIInChI=1S/C7H17NO2/c1-4-10-7(3,9)5-6(2)8/h6,9H,4-5,8H2,1-3H3/t6?,7-/m0/s1
InChIKeyLEBWQLMYFNXALA-MLWJPKLSSA-N
MW147.22 g/mol
LogP0.47
Rot. Bonds4

About (2S)-4-amino-2-ethoxypentan-2-ol

(2S)-4-amino-2-ethoxypentan-2-ol (PubChem CID 163736531) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-4-amino-2-ethoxypentan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-2-ethoxypentan-2-ol
PubChem CID163736531
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-4-amino-2-ethoxypentan-2-ol
SMILESCCO[C@](C)(O)CC(C)N
InChIInChI=1S/C7H17NO2/c1-4-10-7(3,9)5-6(2)8/h6,9H,4-5,8H2,1-3H3/t6?,7-/m0/s1
InChIKeyLEBWQLMYFNXALA-MLWJPKLSSA-N
XLogP0.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-ethoxypentan-2-ol?
The IUPAC name of (2S)-4-amino-2-ethoxypentan-2-ol (CID 163736531) is (2S)-4-amino-2-ethoxypentan-2-ol.
What is the SMILES notation for (2S)-4-amino-2-ethoxypentan-2-ol?
The canonical SMILES for (2S)-4-amino-2-ethoxypentan-2-ol is CCO[C@](C)(O)CC(C)N.
What is the InChIKey of (2S)-4-amino-2-ethoxypentan-2-ol?
The InChIKey is LEBWQLMYFNXALA-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-10-7(3,9)5-6(2)8/h6,9H,4-5,8H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (2S)-4-amino-2-ethoxypentan-2-ol?
(2S)-4-amino-2-ethoxypentan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-ethoxypentan-2-ol is sourced from PubChem (CID 163736531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).