2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride

C5H12ClNO3 — CID 119031942

IUPAC2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride
SMILESCNCC(CO)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-6-2-4(3-7)5(8)9;/h4,6-7H,2-3H2,1H3,(H,8,9);1H
InChIKeyBBLLBMGQTLRGNM-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.68
Rot. Bonds4

About 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride

2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride (PubChem CID 119031942) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride
PubChem CID119031942
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride
SMILESCNCC(CO)C(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-6-2-4(3-7)5(8)9;/h4,6-7H,2-3H2,1H3,(H,8,9);1H
InChIKeyBBLLBMGQTLRGNM-UHFFFAOYSA-N
XLogP-0.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Beta-3-Serine
CID 17753872
(R)-3-Amino-2-(hydroxymethyl)propanoic acid
CID 46936524
2-Methyl-3-(methylamino)propanoic acid hydrochloride
CID 47003060
3-(Ethylamino)-2-methylpropanoic acid hydrochloride
CID 47003379
Methyl 3-(hydroxymethyl)azetidine-3-carboxylate hydrochloride
CID 145867231
3-(Hydroxymethyl)azetidine-3-carboxylic acid hydrochloride
CID 155822168
Methyl 3-amino-2-(hydroxymethyl)propanoate hydrochloride
CID 165978132
Methyl 3-amino-2-(hydroxymethyl)propanoate
CID 14151409
Propanoic acid, 3-[(2-hydroxyethyl)amino]-2-methyl-
CID 11286551
Ethyl 3-amino-2-(hydroxymethyl)propanoate
CID 20237867
3-Amino-2-(hydroxymethyl)propanoic acid
CID 23644509
Methyl 2-[(chloroamino)methyl]-3-hydroxypropanoate
CID 88227104

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride (CID 119031942) is 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride is CNCC(CO)C(=O)O.Cl.
What is the InChIKey of 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride?
The InChIKey is BBLLBMGQTLRGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-6-2-4(3-7)5(8)9;/h4,6-7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride?
2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(methylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 119031942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).