(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid

C13H21NO4 — CID 14754495

IUPAC(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO4/c1-8(2)7-9-10(11(9)13(16)17)12(15)14-3-5-18-6-4-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyWTRAZNUWFGSDIV-HBNTYKKESA-N
MW255.31 g/mol
LogP0.84
Rot. Bonds4

About (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid

(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 14754495) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID14754495
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO4/c1-8(2)7-9-10(11(9)13(16)17)12(15)14-3-5-18-6-4-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyWTRAZNUWFGSDIV-HBNTYKKESA-N
XLogP0.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (CID 14754495) is (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is CC(C)C[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is WTRAZNUWFGSDIV-HBNTYKKESA-N. The full InChI is InChI=1S/C13H21NO4/c1-8(2)7-9-10(11(9)13(16)17)12(15)14-3-5-18-6-4-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 14754495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).