(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid

C8H12O2 — CID 55301012

IUPAC(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1C=CCC1
InChIInChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2,4,6-7H,3,5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyPKQZHWWVQJMLLY-RNFRBKRXSA-N
MW140.18 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid

(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid (PubChem CID 55301012) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
PubChem CID55301012
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1C=CCC1
InChIInChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2,4,6-7H,3,5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyPKQZHWWVQJMLLY-RNFRBKRXSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid (CID 55301012) is (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid is C[C@@H](C(=O)O)[C@@H]1C=CCC1.
What is the InChIKey of (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid?
The InChIKey is PKQZHWWVQJMLLY-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2,4,6-7H,3,5H2,1H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid?
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid is sourced from PubChem (CID 55301012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).