(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid

C10H16N2O5 — CID 102945598

IUPAC(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NN1CCOCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H16N2O5/c13-9(11-12-3-5-16-6-4-12)7-1-2-8(17-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyIJDSWPZDHRRWHS-JGVFFNPUSA-N
MW244.25 g/mol
LogP-1.02
Rot. Bonds3

About (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945598) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945598
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NN1CCOCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H16N2O5/c13-9(11-12-3-5-16-6-4-12)7-1-2-8(17-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyIJDSWPZDHRRWHS-JGVFFNPUSA-N
XLogP-1.02
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
2-(morpholin-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 568377
5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688675
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(1R,2R,3R,4R)-3-(morpholin-4-ylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124713675
(2R,5S)-5-[(4-methyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945713
(2R)-N-piperidin-1-yloxolane-2-carboxamide
CID 28985530
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102945598) is (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(NN1CCOCC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is IJDSWPZDHRRWHS-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-9(11-12-3-5-16-6-4-12)7-1-2-8(17-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(morpholin-4-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).