2-(4-prop-2-enoylmorpholin-2-yl)acetic acid

C9H13NO4 — CID 66419978

IUPAC2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
SMILESC=CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-2-8(11)10-3-4-14-7(6-10)5-9(12)13/h2,7H,1,3-6H2,(H,12,13)
InChIKeyDMVGHRFXSXDBDD-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.13
Rot. Bonds3

About 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid

2-(4-prop-2-enoylmorpholin-2-yl)acetic acid (PubChem CID 66419978) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
PubChem CID66419978
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
SMILESC=CC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-2-8(11)10-3-4-14-7(6-10)5-9(12)13/h2,7H,1,3-6H2,(H,12,13)
InChIKeyDMVGHRFXSXDBDD-UHFFFAOYSA-N
XLogP-0.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 115344511
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889629
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid (CID 66419978) is 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid is C=CC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid?
The InChIKey is DMVGHRFXSXDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-8(11)10-3-4-14-7(6-10)5-9(12)13/h2,7H,1,3-6H2,(H,12,13).
What are the key properties of 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid?
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid has a molecular weight of 199.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 66419978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).