2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid

C12H19NO5 — CID 124515362

IUPAC2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1
InChIInChI=1S/C12H19NO5/c14-11(15)6-10-7-13(3-5-18-10)12(16)9-2-1-4-17-8-9/h9-10H,1-8H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyVHKZSVTURRZWHJ-UWVGGRQHSA-N
MW257.29 g/mol
LogP0.12
Rot. Bonds3

About 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 124515362) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID124515362
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1
InChIInChI=1S/C12H19NO5/c14-11(15)6-10-7-13(3-5-18-10)12(16)9-2-1-4-17-8-9/h9-10H,1-8H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyVHKZSVTURRZWHJ-UWVGGRQHSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247976

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid (CID 124515362) is 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1.
What is the InChIKey of 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is VHKZSVTURRZWHJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(15)6-10-7-13(3-5-18-10)12(16)9-2-1-4-17-8-9/h9-10H,1-8H2,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).