2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride

C8H16ClNO3 — CID 6603192

IUPAC2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(CN1CCOCC1)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-7(8(10)11)6-9-2-4-12-5-3-9;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyBRXVHGVQSOVEGL-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.46
Rot. Bonds3

About 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride

2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride (PubChem CID 6603192) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
PubChem CID6603192
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
SMILESCC(CN1CCOCC1)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-7(8(10)11)6-9-2-4-12-5-3-9;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyBRXVHGVQSOVEGL-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
2-(morpholin-4-ylmethyl)butanedioic acid
CID 45376163
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
CID 66704647
4-chlorobutyl (2R)-2-methyl-3-morpholin-4-ylpropanoate
CID 40543841
3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid
CID 105355961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride (CID 6603192) is 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride is CC(CN1CCOCC1)C(=O)O.Cl.
What is the InChIKey of 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
The InChIKey is BRXVHGVQSOVEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-7(8(10)11)6-9-2-4-12-5-3-9;/h7H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride?
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 6603192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).