cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate

C7H12O3 — CID 58928079

IUPACcis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyASZRODBLMORHAR-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds1

About cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 58928079) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
PubChem CID58928079
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyASZRODBLMORHAR-NTSWFWBYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R)-3-hydroxycyclopentane-1-carboxylate
CID 90130718
cis-methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 58952956
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 3-hydroxycyclohexane-1-carboxylate;hydrate
CID 172848258
methyl (2R,3aR,5S,7aS)-5-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 124857523
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
CID 129418708
methyl (1S,3S,4R)-4-bromo-3-hydroxycyclohexane-1-carboxylate
CID 101131035
methyl 3-bromo-4-hydroxycyclohexane-1-carboxylate
CID 59143766

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate (CID 58928079) is cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@H](O)C1.
What is the InChIKey of cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is ASZRODBLMORHAR-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 58928079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).