(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate

C15H25O3- — CID 91972237

IUPAC(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate
SMILESCCC1CC1CC1CC1C[C@@H](O)C(CC)C(=O)[O-]
InChIInChI=1S/C15H26O3/c1-3-9-5-10(9)6-11-7-12(11)8-14(16)13(4-2)15(17)18/h9-14,16H,3-8H2,1-2H3,(H,17,18)/p-1/t9?,10?,11?,12?,13?,14-/m1/s1
InChIKeyQRLPHSLZHKIQHB-QCYUVGAGSA-M
MW253.36 g/mol
LogP1.59
Rot. Bonds8

About (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate

(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate (PubChem CID 91972237) has the molecular formula C15H25O3- and a molecular weight of 253.36 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate
PubChem CID91972237
Molecular FormulaC15H25O3-
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate
SMILESCCC1CC1CC1CC1C[C@@H](O)C(CC)C(=O)[O-]
InChIInChI=1S/C15H26O3/c1-3-9-5-10(9)6-11-7-12(11)8-14(16)13(4-2)15(17)18/h9-14,16H,3-8H2,1-2H3,(H,17,18)/p-1/t9?,10?,11?,12?,13?,14-/m1/s1
InChIKeyQRLPHSLZHKIQHB-QCYUVGAGSA-M
XLogP1.59
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate?
The IUPAC name of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate (CID 91972237) is (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate.
What is the SMILES notation for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate?
The canonical SMILES for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate is CCC1CC1CC1CC1C[C@@H](O)C(CC)C(=O)[O-].
What is the InChIKey of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate?
The InChIKey is QRLPHSLZHKIQHB-QCYUVGAGSA-M. The full InChI is InChI=1S/C15H26O3/c1-3-9-5-10(9)6-11-7-12(11)8-14(16)13(4-2)15(17)18/h9-14,16H,3-8H2,1-2H3,(H,17,18)/p-1/t9?,10?,11?,12?,13?,14-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate?
(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate has a molecular weight of 253.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoate is sourced from PubChem (CID 91972237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).