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

C7H10O4 — CID 11535603

IUPACtrans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyBRVQFDJETHFEQY-RFZPGFLSSA-N
MW158.15 g/mol
LogP0.27
Rot. Bonds3

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

trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 11535603) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID11535603
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nametrans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyBRVQFDJETHFEQY-RFZPGFLSSA-N
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 642979
1,2-Dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
Dimethyl trans-1,2-cyclopropanedicarboxylate
CID 6429599
3-(Ethoxycarbonyl)pentanedioic acid
CID 122714131
Methyl (1R,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate
CID 11083913
(1R,2S)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510973
Diethyl cyclopropane-1,2-dicarboxylate
CID 89350
methyl (1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylate
CID 10931461
1-Methyl (1R,2S)-1,2-cyclopropanedicarboxylate
CID 10975600
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 317445
(1S,2S)-2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 21729434

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid (CID 11535603) is trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid is CCOC(=O)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is BRVQFDJETHFEQY-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 11535603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).