4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid

C9H14ClNO3 — CID 130605069

IUPAC4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
SMILESC=C(Cl)CN1CCOC(C)C1C(=O)O
InChIInChI=1S/C9H14ClNO3/c1-6(10)5-11-3-4-14-7(2)8(11)9(12)13/h7-8H,1,3-5H2,2H3,(H,12,13)
InChIKeyPDNCOCZOIBPDCB-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.91
Rot. Bonds3

About 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid

4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid (PubChem CID 130605069) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
PubChem CID130605069
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
SMILESC=C(Cl)CN1CCOC(C)C1C(=O)O
InChIInChI=1S/C9H14ClNO3/c1-6(10)5-11-3-4-14-7(2)8(11)9(12)13/h7-8H,1,3-5H2,2H3,(H,12,13)
InChIKeyPDNCOCZOIBPDCB-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-2-methylmorpholine-3-carboxylic acid
CID 118137411
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
2,3-dimethyl-4-(2-methylidenebutyl)morpholine
CID 131132113
4-but-3-ynoyl-2-methylmorpholine-3-carboxylic acid
CID 130657220
2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
CID 131151267
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 13396240
1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720909
(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
CID 167968895
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
CID 128986958
1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one
CID 169224435
1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
CID 130639648

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid (CID 130605069) is 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid is C=C(Cl)CN1CCOC(C)C1C(=O)O.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid?
The InChIKey is PDNCOCZOIBPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3/c1-6(10)5-11-3-4-14-7(2)8(11)9(12)13/h7-8H,1,3-5H2,2H3,(H,12,13).
What are the key properties of 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid?
4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid has a molecular weight of 219.67 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid is sourced from PubChem (CID 130605069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).