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

C14H23NO5 — CID 124515314

IUPAC2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1
InChIInChI=1S/C14H23NO5/c16-13(5-4-11-3-1-2-7-19-11)15-6-8-20-12(10-15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyYMIKRTPLTKVHGP-NWDGAFQWSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

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

2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid (PubChem CID 124515314) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
PubChem CID124515314
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1
InChIInChI=1S/C14H23NO5/c16-13(5-4-11-3-1-2-7-19-11)15-6-8-20-12(10-15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyYMIKRTPLTKVHGP-NWDGAFQWSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
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-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
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
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid (CID 124515314) is 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1.
What is the InChIKey of 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is YMIKRTPLTKVHGP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13(5-4-11-3-1-2-7-19-11)15-6-8-20-12(10-15)9-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).