(2S)-1-amino-3-ethoxypent-4-en-2-ol

C7H15NO2 — CID 143608912

IUPAC(2S)-1-amino-3-ethoxypent-4-en-2-ol
SMILESC=CC(OCC)[C@@H](O)CN
InChIInChI=1S/C7H15NO2/c1-3-7(10-4-2)6(9)5-8/h3,6-7,9H,1,4-5,8H2,2H3/t6-,7?/m0/s1
InChIKeyZNZCEVKOIPIOOO-PKPIPKONSA-N
MW145.20 g/mol
LogP-0.10
Rot. Bonds5

About (2S)-1-amino-3-ethoxypent-4-en-2-ol

(2S)-1-amino-3-ethoxypent-4-en-2-ol (PubChem CID 143608912) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-1-amino-3-ethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-ethoxypent-4-en-2-ol
PubChem CID143608912
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-1-amino-3-ethoxypent-4-en-2-ol
SMILESC=CC(OCC)[C@@H](O)CN
InChIInChI=1S/C7H15NO2/c1-3-7(10-4-2)6(9)5-8/h3,6-7,9H,1,4-5,8H2,2H3/t6-,7?/m0/s1
InChIKeyZNZCEVKOIPIOOO-PKPIPKONSA-N
XLogP-0.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-ethoxypent-4-en-2-ol?
The IUPAC name of (2S)-1-amino-3-ethoxypent-4-en-2-ol (CID 143608912) is (2S)-1-amino-3-ethoxypent-4-en-2-ol.
What is the SMILES notation for (2S)-1-amino-3-ethoxypent-4-en-2-ol?
The canonical SMILES for (2S)-1-amino-3-ethoxypent-4-en-2-ol is C=CC(OCC)[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-ethoxypent-4-en-2-ol?
The InChIKey is ZNZCEVKOIPIOOO-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-7(10-4-2)6(9)5-8/h3,6-7,9H,1,4-5,8H2,2H3/t6-,7?/m0/s1.
What are the key properties of (2S)-1-amino-3-ethoxypent-4-en-2-ol?
(2S)-1-amino-3-ethoxypent-4-en-2-ol has a molecular weight of 145.20 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-ethoxypent-4-en-2-ol is sourced from PubChem (CID 143608912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).