(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride

C7H14ClNO3 — CID 102594511

IUPAC(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-6(7(9)10)8-2-4-11-5-3-8;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyZKEGDUIFZVBHQV-RGMNGODLSA-N
MW195.65 g/mol
LogP0.21
Rot. Bonds2

About (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride

(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride (PubChem CID 102594511) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride
PubChem CID102594511
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride
SMILESC[C@@H](C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-6(7(9)10)8-2-4-11-5-3-8;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyZKEGDUIFZVBHQV-RGMNGODLSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Morpholin-4-yl)acetic acid hydrochloride
CID 17750946
2-Morpholin-4-ylpropanoic acid
CID 3152565
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
2-(Morpholin-4-yl)propanoic acid hydrochloride
CID 43810774
2-Methyl-2-(morpholin-4-yl)propanoic acid hydrochloride
CID 47003124
4-Methylmorpholine-3-carboxylic acid hydrochloride
CID 53408019
(S)-4-methylmorpholine-3-carboxylic acid
CID 55300758
4-Ethylmorpholine-3-carboxylic acid hydrochloride
CID 71757703
Ethyl 2-morpholin-4-ylpropanoate
CID 13022013
Methyl 2-(4-morpholinyl)propanoate
CID 15164418
2-(3,3-Dimethylmorpholin-4-yl)acetic acid
CID 57465005
2-(4-Methylmorpholin-4-ium-4-yl)acetic acid
CID 5249655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride (CID 102594511) is (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride is C[C@@H](C(=O)O)N1CCOCC1.Cl.
What is the InChIKey of (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride?
The InChIKey is ZKEGDUIFZVBHQV-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-6(7(9)10)8-2-4-11-5-3-8;/h6H,2-5H2,1H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride?
(2S)-2-morpholin-4-ylpropanoic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 102594511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).