(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride

C11H16ClNO2 — CID 170899624

IUPAC(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
SMILESCNC[C@@H](Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-8-10(11(13)14)7-9-5-3-2-4-6-9;/h2-6,10,12H,7-8H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyRWWIYEHSZJOVIE-HNCPQSOCSA-N
MW229.71 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride

(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride (PubChem CID 170899624) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
PubChem CID170899624
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
SMILESCNC[C@@H](Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-8-10(11(13)14)7-9-5-3-2-4-6-9;/h2-6,10,12H,7-8H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyRWWIYEHSZJOVIE-HNCPQSOCSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143364500
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CID 119234039
azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
2-benzyl-3-iodopropanoic acid
CID 1542
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-benzyl-3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 132967793
2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
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2-benzylbutanedioic acid;ethanol
CID 174894815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride (CID 170899624) is (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride is CNC[C@@H](Cc1ccccc1)C(=O)O.Cl.
What is the InChIKey of (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride?
The InChIKey is RWWIYEHSZJOVIE-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-12-8-10(11(13)14)7-9-5-3-2-4-6-9;/h2-6,10,12H,7-8H2,1H3,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride?
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 170899624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).