trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid

C6H10O3 — CID 39872362

IUPACtrans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyNXCVRYFUTLMBAE-RFZPGFLSSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds3

About trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid

trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid (PubChem CID 39872362) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
PubChem CID39872362
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nametrans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyNXCVRYFUTLMBAE-RFZPGFLSSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid (CID 39872362) is trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid is CCO[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid?
The InChIKey is NXCVRYFUTLMBAE-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 39872362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).