cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid

C7H12O3 — CID 15362374

IUPACcis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@]1(C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H12O3/c1-4-3-7(4,5(2)8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5-,7-/m1/s1
InChIKeyUFMMAXSAJNWRCQ-WYDQCIBASA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds2

About cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid

cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid (PubChem CID 15362374) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
PubChem CID15362374
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@]1(C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H12O3/c1-4-3-7(4,5(2)8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5-,7-/m1/s1
InChIKeyUFMMAXSAJNWRCQ-WYDQCIBASA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid (CID 15362374) is cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid is C[C@@H]1C[C@]1(C(=O)O)[C@@H](C)O.
What is the InChIKey of cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is UFMMAXSAJNWRCQ-WYDQCIBASA-N. The full InChI is InChI=1S/C7H12O3/c1-4-3-7(4,5(2)8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid?
cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 15362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).