2-(pentan-3-ylamino)ethyl prop-2-enoate

C10H19NO2 — CID 3017635

IUPAC2-(pentan-3-ylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-9(5-2)11-7-8-13-10(12)6-3/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyIDOCOVRJUHXXGE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About 2-(pentan-3-ylamino)ethyl prop-2-enoate

2-(pentan-3-ylamino)ethyl prop-2-enoate (PubChem CID 3017635) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(pentan-3-ylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(pentan-3-ylamino)ethyl prop-2-enoate
PubChem CID3017635
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(pentan-3-ylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-9(5-2)11-7-8-13-10(12)6-3/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyIDOCOVRJUHXXGE-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pentan-3-ylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(pentan-3-ylamino)ethyl prop-2-enoate (CID 3017635) is 2-(pentan-3-ylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(pentan-3-ylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(pentan-3-ylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(CC)CC.
What is the InChIKey of 2-(pentan-3-ylamino)ethyl prop-2-enoate?
The InChIKey is IDOCOVRJUHXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(5-2)11-7-8-13-10(12)6-3/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(pentan-3-ylamino)ethyl prop-2-enoate?
2-(pentan-3-ylamino)ethyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-3-ylamino)ethyl prop-2-enoate is sourced from PubChem (CID 3017635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).