(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid

C8H12O3 — CID 129389129

IUPAC(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C8H12O3/c1-5(8(10)11)6-2-3-7(9)4-6/h2-3,5-7,9H,4H2,1H3,(H,10,11)/t5-,6+,7+/m0/s1
InChIKeyOGGGLHIMKLEZAT-RRKCRQDMSA-N
MW156.18 g/mol
LogP0.64
Rot. Bonds2

About (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid

(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid (PubChem CID 129389129) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
PubChem CID129389129
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C8H12O3/c1-5(8(10)11)6-2-3-7(9)4-6/h2-3,5-7,9H,4H2,1H3,(H,10,11)/t5-,6+,7+/m0/s1
InChIKeyOGGGLHIMKLEZAT-RRKCRQDMSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
dimethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]propanedioate
CID 11264353
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
acetic acid;4-aminocyclopent-2-en-1-ol
CID 70584615
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424386
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
2-(2-tert-butylcyclopropyl)propanoic acid
CID 84653839
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
cyclopropanol;2-methylpropanoic acid
CID 174792699
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid (CID 129389129) is (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid is C[C@H](C(=O)O)[C@@H]1C=C[C@@H](O)C1.
What is the InChIKey of (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid?
The InChIKey is OGGGLHIMKLEZAT-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(8(10)11)6-2-3-7(9)4-6/h2-3,5-7,9H,4H2,1H3,(H,10,11)/t5-,6+,7+/m0/s1.
What are the key properties of (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid?
(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid is sourced from PubChem (CID 129389129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).