2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid

C13H21NO5 — CID 124515387

IUPAC2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCO1
InChIInChI=1S/C13H21NO5/c15-12(4-3-10-2-1-6-18-10)14-5-7-19-11(9-14)8-13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11-/m0/s1
InChIKeyAQMFUQIKOLVPOB-QWRGUYRKSA-N
MW271.31 g/mol
LogP0.65
Rot. Bonds5

About 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid (PubChem CID 124515387) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
PubChem CID124515387
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCO1
InChIInChI=1S/C13H21NO5/c15-12(4-3-10-2-1-6-18-10)14-5-7-19-11(9-14)8-13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11-/m0/s1
InChIKeyAQMFUQIKOLVPOB-QWRGUYRKSA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid (CID 124515387) is 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCO1.
What is the InChIKey of 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is AQMFUQIKOLVPOB-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO5/c15-12(4-3-10-2-1-6-18-10)14-5-7-19-11(9-14)8-13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).