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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Related Compounds

(1R,3aS,4S,6aS)-4-ethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
CID 125482695
1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 129414775
2-ethoxy-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 71334883
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
CID 162751269
(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid
CID 176790380
S-[(E)-1-(2-ethoxycyclopropyl)prop-1-enyl] N,N-dimethylcarbamothioate
CID 177488344
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
N-(1-amino-2-methylpropan-2-yl)-2-ethoxycyclopropane-1-carboxamide
CID 119525062
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771
(2S)-2-[(2-ethoxycyclopropanecarbonyl)amino]hexanoic acid
CID 120614297
(3R,3aR,6aR)-2-[(1S,2R)-2-ethoxycyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129468979

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).