(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid

C10H13NO3 — CID 67807121

IUPAC(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@H](N)[C@@H](O)C(=O)O)cc1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyMXALXDNRLYPVEU-DTWKUNHWSA-N
MW195.22 g/mol
LogP0.44
Rot. Bonds3

About (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid

(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid (PubChem CID 67807121) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
PubChem CID67807121
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@H](N)[C@@H](O)C(=O)O)cc1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyMXALXDNRLYPVEU-DTWKUNHWSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-carboxy-2-hydroxyethyl]benzoic acid
CID 70149736
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
CID 18431576
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
amino-(4-methylphenyl)methanol
CID 70304176
(2S)-2-(4-methylphenyl)-2-nitrosoacetic acid
CID 89021238
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
(2R,4R)-2-amino-3,3-difluoro-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 58703528
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
2-aminooxy-2-(4-methylphenyl)acetic acid
CID 105439251
2-methylpropanoic acid;1,4-xylene
CID 142846820

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid (CID 67807121) is (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid is Cc1ccc([C@H](N)[C@@H](O)C(=O)O)cc1.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid?
The InChIKey is MXALXDNRLYPVEU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid?
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 67807121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).