(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid

C6H9N3O3 — CID 124681337

IUPAC(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(C[C@@H](O)C(=O)O)nn1
InChIInChI=1S/C6H9N3O3/c1-9-3-4(7-8-9)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyJKVIVVIXVLCHQP-RXMQYKEDSA-N
MW171.16 g/mol
LogP-1.20
Rot. Bonds3

About (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid

(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid (PubChem CID 124681337) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
PubChem CID124681337
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(C[C@@H](O)C(=O)O)nn1
InChIInChI=1S/C6H9N3O3/c1-9-3-4(7-8-9)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyJKVIVVIXVLCHQP-RXMQYKEDSA-N
XLogP-1.20
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
(2S)-2-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 125425063
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
CID 107040987
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
3-methylsulfonyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107065643
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid (CID 124681337) is (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid is Cn1cc(C[C@@H](O)C(=O)O)nn1.
What is the InChIKey of (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid?
The InChIKey is JKVIVVIXVLCHQP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9-3-4(7-8-9)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid?
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 124681337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).