2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid

C7H11NO3 — CID 68522926

IUPAC2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
SMILESC=C(CC1NCCO1)C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h6,8H,1-4H2,(H,9,10)
InChIKeyYRYFFHUACXWXFU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.04
Rot. Bonds3

About 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid

2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid (PubChem CID 68522926) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
PubChem CID68522926
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
SMILESC=C(CC1NCCO1)C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h6,8H,1-4H2,(H,9,10)
InChIKeyYRYFFHUACXWXFU-UHFFFAOYSA-N
XLogP-0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
CID 67610429
2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid
CID 165399635
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
2-(oxan-4-ylmethyl)prop-2-enoic acid
CID 117266880
ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
CID 174976815
2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
CID 23447106
2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
CID 174974920
2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
CID 146306901
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
2-(ethylsulfonylmethyl)-1,3-oxazolidine
CID 154189190
2-methylbut-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173148630
2-morpholin-2-ylprop-2-enoic acid
CID 175579148

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid?
The IUPAC name of 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid (CID 68522926) is 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid is C=C(CC1NCCO1)C(=O)O.
What is the InChIKey of 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid?
The InChIKey is YRYFFHUACXWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h6,8H,1-4H2,(H,9,10).
What are the key properties of 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid?
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid is sourced from PubChem (CID 68522926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).