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

C11H17NO4 — CID 14754489

IUPAC(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-2-7-8(9(7)11(14)15)10(13)12-3-5-16-6-4-12/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9+/m0/s1
InChIKeyNZSCKOXQCMZWPU-DJLDLDEBSA-N
MW227.26 g/mol
LogP0.20
Rot. Bonds3

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

(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 14754489) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID14754489
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-2-7-8(9(7)11(14)15)10(13)12-3-5-16-6-4-12/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9+/m0/s1
InChIKeyNZSCKOXQCMZWPU-DJLDLDEBSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid
CID 2988435
3-Methyl-5-(4-morpholinyl)-5-oxopentanoic acid
CID 24214099
2,2-Dimethyl-3-(morpholin-4-ylcarbonyl)-cyclopropanecarboxylic acid
CID 25219931
3-{[3-(Ethoxycarbonyl)piperidin-1-yl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid
CID 25219937
trans-(1R,2R)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 10442746
2-Ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754488
2-(2-Methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754494
(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754495
(R)-4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 15975488
4-Methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 18768953
4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 22179883
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid (CID 14754489) is (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is CC[C@@H]1[C@@H](C(=O)O)[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is NZSCKOXQCMZWPU-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-7-8(9(7)11(14)15)10(13)12-3-5-16-6-4-12/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid?
(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 14754489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).