(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid

C10H13NO3 — CID 67059715

IUPAC(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(CO)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1
InChIKeyOGLFMTLLZNGZPP-VIFPVBQESA-N
MW195.22 g/mol
LogP0.13
Rot. Bonds4

About (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid

(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid (PubChem CID 67059715) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
PubChem CID67059715
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(CO)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1
InChIKeyOGLFMTLLZNGZPP-VIFPVBQESA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
CID 175398480
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid (CID 67059715) is (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid is N[C@@H](Cc1cccc(CO)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid?
The InChIKey is OGLFMTLLZNGZPP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 67059715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).