(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid

C9H15NO2 — CID 177230403

IUPAC(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
SMILESC[C@H](/C=C/C(=O)O)N1CCCC1
InChIInChI=1S/C9H15NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m1/s1
InChIKeyRXSNUGVKJQELMG-WTSVBCDHSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds3

About (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid

(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid (PubChem CID 177230403) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid.

Molecular Properties

Compound Name(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
PubChem CID177230403
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
SMILESC[C@H](/C=C/C(=O)O)N1CCCC1
InChIInChI=1S/C9H15NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m1/s1
InChIKeyRXSNUGVKJQELMG-WTSVBCDHSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-pyrrolidin-1-ylpropanoic acid;hydrochloride
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1-(4-methylpent-3-en-2-yl)piperidine
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Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid?
The IUPAC name of (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid (CID 177230403) is (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid.
What is the SMILES notation for (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid?
The canonical SMILES for (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid is C[C@H](/C=C/C(=O)O)N1CCCC1.
What is the InChIKey of (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid?
The InChIKey is RXSNUGVKJQELMG-WTSVBCDHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m1/s1.
What are the key properties of (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid?
(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid is sourced from PubChem (CID 177230403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).