4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid

C9H14ClNO3 — CID 77135519

IUPAC4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC=CCl)C1COCC1C(=O)O
InChIInChI=1S/C9H14ClNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13)
InChIKeyMTAAIPCADVUASF-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.77
Rot. Bonds4

About 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid

4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 77135519) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID77135519
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC=CCl)C1COCC1C(=O)O
InChIInChI=1S/C9H14ClNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13)
InChIKeyMTAAIPCADVUASF-UHFFFAOYSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237204
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid (CID 77135519) is 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid is CN(CC=CCl)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MTAAIPCADVUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h2-3,7-8H,4-6H2,1H3,(H,12,13).
What are the key properties of 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid?
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 219.67 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 77135519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).