(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid

C7H11NO2 — CID 10964605

IUPAC(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid
SMILESN[C@H](C(=O)O)C1CC=CC1
InChIInChI=1S/C7H11NO2/c8-6(7(9)10)5-3-1-2-4-5/h1-2,5-6H,3-4,8H2,(H,9,10)/t6-/m0/s1
InChIKeyRPCCYCFYTTUSNO-LURJTMIESA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds2

About (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid

(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid (PubChem CID 10964605) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid
PubChem CID10964605
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid
SMILESN[C@H](C(=O)O)C1CC=CC1
InChIInChI=1S/C7H11NO2/c8-6(7(9)10)5-3-1-2-4-5/h1-2,5-6H,3-4,8H2,(H,9,10)/t6-/m0/s1
InChIKeyRPCCYCFYTTUSNO-LURJTMIESA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
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 (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid?
The IUPAC name of (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid (CID 10964605) is (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid is N[C@H](C(=O)O)C1CC=CC1.
What is the InChIKey of (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid?
The InChIKey is RPCCYCFYTTUSNO-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c8-6(7(9)10)5-3-1-2-4-5/h1-2,5-6H,3-4,8H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid?
(2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopent-3-en-1-ylacetic acid is sourced from PubChem (CID 10964605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).