3-(methylamino)-2-phenylpropanoic acid;hydrochloride

C10H14ClNO2 — CID 134828159

IUPAC3-(methylamino)-2-phenylpropanoic acid;hydrochloride
SMILESCNCC(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-11-7-9(10(12)13)8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H
InChIKeyZPPQKEFUCPRMNB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.50
Rot. Bonds4

About 3-(methylamino)-2-phenylpropanoic acid;hydrochloride

3-(methylamino)-2-phenylpropanoic acid;hydrochloride (PubChem CID 134828159) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(methylamino)-2-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)-2-phenylpropanoic acid;hydrochloride
PubChem CID134828159
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-(methylamino)-2-phenylpropanoic acid;hydrochloride
SMILESCNCC(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-11-7-9(10(12)13)8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H
InChIKeyZPPQKEFUCPRMNB-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylpropanoic acid
CID 107152190
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
3-(2-ethylanilino)-2-phenylpropanoic acid
CID 64566858
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-phenylpropanoic acid;hydrochloride?
The IUPAC name of 3-(methylamino)-2-phenylpropanoic acid;hydrochloride (CID 134828159) is 3-(methylamino)-2-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-(methylamino)-2-phenylpropanoic acid;hydrochloride?
The canonical SMILES for 3-(methylamino)-2-phenylpropanoic acid;hydrochloride is CNCC(C(=O)O)c1ccccc1.Cl.
What is the InChIKey of 3-(methylamino)-2-phenylpropanoic acid;hydrochloride?
The InChIKey is ZPPQKEFUCPRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-11-7-9(10(12)13)8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H.
What are the key properties of 3-(methylamino)-2-phenylpropanoic acid;hydrochloride?
3-(methylamino)-2-phenylpropanoic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 134828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).