2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid

C12H19NO5 — CID 124515284

IUPAC2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C[C@H]2CCCO2)CCO1
InChIInChI=1S/C12H19NO5/c14-11(6-9-2-1-4-17-9)13-3-5-18-10(8-13)7-12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyUGULXMJXKQCZTL-ZJUUUORDSA-N
MW257.29 g/mol
LogP0.26
Rot. Bonds4

About 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid (PubChem CID 124515284) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
PubChem CID124515284
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C[C@H]2CCCO2)CCO1
InChIInChI=1S/C12H19NO5/c14-11(6-9-2-1-4-17-9)13-3-5-18-10(8-13)7-12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyUGULXMJXKQCZTL-ZJUUUORDSA-N
XLogP0.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid (CID 124515284) is 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)C[C@H]2CCCO2)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is UGULXMJXKQCZTL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(6-9-2-1-4-17-9)13-3-5-18-10(8-13)7-12(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).