2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid

C9H15NO3 — CID 103234748

IUPAC2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCCO1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-7(9(11)12)5-10-6-8-3-2-4-13-8/h8,10H,1-6H2,(H,11,12)
InChIKeyQNGYZZIUXSLQTM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.40
Rot. Bonds5

About 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid

2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid (PubChem CID 103234748) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid
PubChem CID103234748
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC1CCCO1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-7(9(11)12)5-10-6-8-3-2-4-13-8/h8,10H,1-6H2,(H,11,12)
InChIKeyQNGYZZIUXSLQTM-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.40
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

oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
3-methyl-4-(oxan-2-ylmethylamino)but-2-enoic acid
CID 103243512
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219

Frequently Asked Questions

What is the IUPAC name of 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid (CID 103234748) is 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid is C=C(CNCC1CCCO1)C(=O)O.
What is the InChIKey of 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid?
The InChIKey is QNGYZZIUXSLQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(9(11)12)5-10-6-8-3-2-4-13-8/h8,10H,1-6H2,(H,11,12).
What are the key properties of 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid?
2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103234748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).