(E)-4-amino-4-cyclopentylbut-2-enoic acid

C9H15NO2 — CID 116940941

IUPAC(E)-4-amino-4-cyclopentylbut-2-enoic acid
SMILESNC(/C=C/C(=O)O)C1CCCC1
InChIInChI=1S/C9H15NO2/c10-8(5-6-9(11)12)7-3-1-2-4-7/h5-8H,1-4,10H2,(H,11,12)/b6-5+
InChIKeyWDAUWNFVEDIGCX-AATRIKPKSA-N
MW169.22 g/mol
LogP1.14
Rot. Bonds3

About (E)-4-amino-4-cyclopentylbut-2-enoic acid

(E)-4-amino-4-cyclopentylbut-2-enoic acid (PubChem CID 116940941) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-4-amino-4-cyclopentylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-amino-4-cyclopentylbut-2-enoic acid
PubChem CID116940941
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-4-amino-4-cyclopentylbut-2-enoic acid
SMILESNC(/C=C/C(=O)O)C1CCCC1
InChIInChI=1S/C9H15NO2/c10-8(5-6-9(11)12)7-3-1-2-4-7/h5-8H,1-4,10H2,(H,11,12)/b6-5+
InChIKeyWDAUWNFVEDIGCX-AATRIKPKSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-4-cyclopentylbut-2-enoic acid?
The IUPAC name of (E)-4-amino-4-cyclopentylbut-2-enoic acid (CID 116940941) is (E)-4-amino-4-cyclopentylbut-2-enoic acid.
What is the SMILES notation for (E)-4-amino-4-cyclopentylbut-2-enoic acid?
The canonical SMILES for (E)-4-amino-4-cyclopentylbut-2-enoic acid is NC(/C=C/C(=O)O)C1CCCC1.
What is the InChIKey of (E)-4-amino-4-cyclopentylbut-2-enoic acid?
The InChIKey is WDAUWNFVEDIGCX-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15NO2/c10-8(5-6-9(11)12)7-3-1-2-4-7/h5-8H,1-4,10H2,(H,11,12)/b6-5+.
What are the key properties of (E)-4-amino-4-cyclopentylbut-2-enoic acid?
(E)-4-amino-4-cyclopentylbut-2-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-4-cyclopentylbut-2-enoic acid is sourced from PubChem (CID 116940941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).