(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid

C11H17NO5 — CID 124512416

IUPAC(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1
InChIInChI=1S/C11H17NO5/c13-10(6-8-2-1-4-16-8)12-3-5-17-9(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyNPKCXUXRJHUKMX-DTWKUNHWSA-N
MW243.26 g/mol
LogP-0.13
Rot. Bonds3

About (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid (PubChem CID 124512416) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
PubChem CID124512416
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1
InChIInChI=1S/C11H17NO5/c13-10(6-8-2-1-4-16-8)12-3-5-17-9(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyNPKCXUXRJHUKMX-DTWKUNHWSA-N
XLogP-0.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid (CID 124512416) is (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1.
What is the InChIKey of (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is NPKCXUXRJHUKMX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10(6-8-2-1-4-16-8)12-3-5-17-9(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124512416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).