(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid

C6H9NO2 — CID 10034643

IUPAC(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
SMILESN[C@H]1C=C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyVTCHZFWYUPZZKL-UHNVWZDZSA-N
MW127.14 g/mol
LogP-0.03
Rot. Bonds1

About (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid

(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid (PubChem CID 10034643) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
PubChem CID10034643
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
SMILESN[C@H]1C=C[C@@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyVTCHZFWYUPZZKL-UHNVWZDZSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid (CID 10034643) is (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid is N[C@H]1C=C[C@@H](C(=O)O)C1.
What is the InChIKey of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid?
The InChIKey is VTCHZFWYUPZZKL-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid?
(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 10034643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).