(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid

C9H14O5 — CID 59619444

IUPAC(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H14O5/c1-2-14-9(13)7-4-5(10)3-6(7)8(11)12/h5-7,10H,2-4H2,1H3,(H,11,12)/t5-,6-,7-/m1/s1
InChIKeyBGVSKAUSMOPRKG-FSDSQADBSA-N
MW202.21 g/mol
LogP0.02
Rot. Bonds3

About (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid

(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid (PubChem CID 59619444) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
PubChem CID59619444
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H14O5/c1-2-14-9(13)7-4-5(10)3-6(7)8(11)12/h5-7,10H,2-4H2,1H3,(H,11,12)/t5-,6-,7-/m1/s1
InChIKeyBGVSKAUSMOPRKG-FSDSQADBSA-N
XLogP0.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid (CID 59619444) is (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid is CCOC(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is BGVSKAUSMOPRKG-FSDSQADBSA-N. The full InChI is InChI=1S/C9H14O5/c1-2-14-9(13)7-4-5(10)3-6(7)8(11)12/h5-7,10H,2-4H2,1H3,(H,11,12)/t5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid?
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 59619444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).