2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid

C9H13NO4 — CID 144688131

IUPAC2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid
SMILESC=CC[C@H]1OCCN(CC(=O)O)C1=O
InChIInChI=1S/C9H13NO4/c1-2-3-7-9(13)10(4-5-14-7)6-8(11)12/h2,7H,1,3-6H2,(H,11,12)/t7-/m1/s1
InChIKeyMYCWMPOZORFCCH-SSDOTTSWSA-N
MW199.21 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid

2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid (PubChem CID 144688131) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid
PubChem CID144688131
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid
SMILESC=CC[C@H]1OCCN(CC(=O)O)C1=O
InChIInChI=1S/C9H13NO4/c1-2-3-7-9(13)10(4-5-14-7)6-8(11)12/h2,7H,1,3-6H2,(H,11,12)/t7-/m1/s1
InChIKeyMYCWMPOZORFCCH-SSDOTTSWSA-N
XLogP-0.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
CID 144688284
2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide
CID 7629072
2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid
CID 144688220
3-[4-(3-methylbutyl)-3-oxomorpholin-2-yl]propanoic acid
CID 117008445
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
2-[(3S)-2-oxo-3-(pent-4-enoylamino)azepan-1-yl]acetic acid
CID 149368310
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
2-[2-oxo-3-(sulfanylmethyl)azepan-1-yl]acetic acid
CID 13457782
4-(furan-2-ylmethyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008372
2-(3-oxothiomorpholin-4-yl)acetic acid
CID 13245541
2-(2-ethenylpyrrolidin-1-yl)acetic acid
CID 67674478
2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid (CID 144688131) is 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid is C=CC[C@H]1OCCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid?
The InChIKey is MYCWMPOZORFCCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-3-7-9(13)10(4-5-14-7)6-8(11)12/h2,7H,1,3-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid?
2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid has a molecular weight of 199.21 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 144688131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).