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

C15H26O3 — CID 58300527

IUPAC(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid
SMILESCCC1CC1CC1CC1C[C@@H](O)[C@@H](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)/t9?,10?,11?,12?,13-,14-/m1/s1
InChIKeyQRLPHSLZHKIQHB-NCXJMQDXSA-N
MW254.37 g/mol
LogP2.92
Rot. Bonds8

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

(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid (PubChem CID 58300527) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid
PubChem CID58300527
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid
SMILESCCC1CC1CC1CC1C[C@@H](O)[C@@H](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)/t9?,10?,11?,12?,13-,14-/m1/s1
InChIKeyQRLPHSLZHKIQHB-NCXJMQDXSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid (CID 58300527) is (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid is CCC1CC1CC1CC1C[C@@H](O)[C@@H](CC)C(=O)O.
What is the InChIKey of (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid?
The InChIKey is QRLPHSLZHKIQHB-NCXJMQDXSA-N. 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)/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-hydroxybutanoic acid?
(2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid has a molecular weight of 254.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-4-[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]-3-hydroxybutanoic acid is sourced from PubChem (CID 58300527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).