(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid

C6H10N4O3 — CID 155552110

IUPAC(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
SMILESN[C@@H](Cn1cc(CO)nn1)C(=O)O
InChIInChI=1S/C6H10N4O3/c7-5(6(12)13)2-10-1-4(3-11)8-9-10/h1,5,11H,2-3,7H2,(H,12,13)/t5-/m0/s1
InChIKeyXUGHZSYKELXDKM-YFKPBYRVSA-N
MW186.17 g/mol
LogP-1.82
Rot. Bonds4

About (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid

(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid (PubChem CID 155552110) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
PubChem CID155552110
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
SMILESN[C@@H](Cn1cc(CO)nn1)C(=O)O
InChIInChI=1S/C6H10N4O3/c7-5(6(12)13)2-10-1-4(3-11)8-9-10/h1,5,11H,2-3,7H2,(H,12,13)/t5-/m0/s1
InChIKeyXUGHZSYKELXDKM-YFKPBYRVSA-N
XLogP-1.82
TPSA114.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 62401663
ethyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71590932
2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 23139261
1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 12554276
[1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62400531
(S)-1-(2-amino-2-carboxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 52941386
(1-Butyl-3-methyltriazol-1-ium-4-yl)methanol acetate
CID 137635033
(1-Butyl-3-propyltriazol-1-ium-4-yl)methanol acetate
CID 137643295
(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid
CID 155566772
(1-(pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 86262648
1-(4-aminobutyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride
CID 121552255
(1-(azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methanol dihydrochloride
CID 132398876

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid (CID 155552110) is (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid is N[C@@H](Cn1cc(CO)nn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid?
The InChIKey is XUGHZSYKELXDKM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N4O3/c7-5(6(12)13)2-10-1-4(3-11)8-9-10/h1,5,11H,2-3,7H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid?
(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid is sourced from PubChem (CID 155552110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).