2-morpholin-3-ylacetic acid;hydrochloride

C6H12ClNO3 — CID 13099576

IUPAC2-morpholin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CC1COCCN1
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-10-2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyLFOMNFLGCFFCQJ-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.13
Rot. Bonds2

About 2-morpholin-3-ylacetic acid;hydrochloride

2-morpholin-3-ylacetic acid;hydrochloride (PubChem CID 13099576) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-morpholin-3-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-morpholin-3-ylacetic acid;hydrochloride
PubChem CID13099576
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name2-morpholin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CC1COCCN1
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-10-2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyLFOMNFLGCFFCQJ-UHFFFAOYSA-N
XLogP-0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
CID 90043742
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
2-[1-[[(2-morpholin-3-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81161091
(2R)-3-hydroxy-2-[(2-morpholin-3-ylacetyl)amino]propanoic acid
CID 80751146
1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
CID 116595823
N-(2-amino-2-oxoethoxy)-2-morpholin-3-ylacetamide
CID 112674067
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-ylacetic acid;hydrochloride?
The IUPAC name of 2-morpholin-3-ylacetic acid;hydrochloride (CID 13099576) is 2-morpholin-3-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-morpholin-3-ylacetic acid;hydrochloride?
The canonical SMILES for 2-morpholin-3-ylacetic acid;hydrochloride is Cl.O=C(O)CC1COCCN1.
What is the InChIKey of 2-morpholin-3-ylacetic acid;hydrochloride?
The InChIKey is LFOMNFLGCFFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-10-2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H.
What are the key properties of 2-morpholin-3-ylacetic acid;hydrochloride?
2-morpholin-3-ylacetic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-ylacetic acid;hydrochloride is sourced from PubChem (CID 13099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).