cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid

C10H14O3 — CID 10535426

IUPACcis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
SMILESCC#CC[C@@]1(C(=O)O)CCC[C@@H]1O
InChIInChI=1S/C10H14O3/c1-2-3-6-10(9(12)13)7-4-5-8(10)11/h8,11H,4-7H2,1H3,(H,12,13)/t8-,10+/m0/s1
InChIKeyVXAPVKVGNUCRJJ-WCBMZHEXSA-N
MW182.22 g/mol
LogP1.02
Rot. Bonds2

About cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid

cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid (PubChem CID 10535426) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
PubChem CID10535426
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namecis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
SMILESCC#CC[C@@]1(C(=O)O)CCC[C@@H]1O
InChIInChI=1S/C10H14O3/c1-2-3-6-10(9(12)13)7-4-5-8(10)11/h8,11H,4-7H2,1H3,(H,12,13)/t8-,10+/m0/s1
InChIKeyVXAPVKVGNUCRJJ-WCBMZHEXSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
CID 102050999
1-but-2-ynylcyclopent-3-ene-1-carboxylic acid
CID 164645826
cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 70118967
1-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]propan-1-one
CID 11686947
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094
2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
CID 130673148
1-pent-3-ynyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 104813004
(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
CID 15813568
ethyl 1-but-2-ynylcyclobutane-1-carboxylate
CID 20565057

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid (CID 10535426) is cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid is CC#CC[C@@]1(C(=O)O)CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is VXAPVKVGNUCRJJ-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-6-10(9(12)13)7-4-5-8(10)11/h8,11H,4-7H2,1H3,(H,12,13)/t8-,10+/m0/s1.
What are the key properties of cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid?
cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 10535426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).