(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid

C13H19NO3 — CID 143364500

IUPAC(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid
SMILESCC(O)CNC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10(15)8-14-9-12(13(16)17)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyHDMZVDOPXFILLS-TVKKRMFBSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds7

About (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid

(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid (PubChem CID 143364500) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid
PubChem CID143364500
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid
SMILESCC(O)CNC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10(15)8-14-9-12(13(16)17)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyHDMZVDOPXFILLS-TVKKRMFBSA-N
XLogP0.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
2-benzyl-4-methylpentanoic acid
CID 15416243
(5S)-2-benzyl-5-hydroxy-4-oxohexanoic acid
CID 176961805
(2S)-1-(benzylamino)propan-2-ol
CID 964914
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
(2S,5R)-2-benzyl-5-methyl-4-oxo-6-phenylhexanoic acid
CID 71031571
2-benzyl-3-[(3-ethyl-4-methylpentanoyl)amino]propanoic acid
CID 119233521
(2S)-2-benzyl-3-[[(2R)-2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]propanoic acid
CID 165152538
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid?
The IUPAC name of (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid (CID 143364500) is (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid.
What is the SMILES notation for (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid?
The canonical SMILES for (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid is CC(O)CNC[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid?
The InChIKey is HDMZVDOPXFILLS-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)8-14-9-12(13(16)17)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid?
(2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-(2-hydroxypropylamino)propanoic acid is sourced from PubChem (CID 143364500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).