(2R)-2-amino-2-(triazol-1-yl)propanoic acid

C5H8N4O2 — CID 91491441

IUPAC(2R)-2-amino-2-(triazol-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)n1ccnn1
InChIInChI=1S/C5H8N4O2/c1-5(6,4(10)11)9-3-2-7-8-9/h2-3H,6H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyYUJBKRGSZQYASG-RXMQYKEDSA-N
MW156.15 g/mol
LogP-1.01
Rot. Bonds2

About (2R)-2-amino-2-(triazol-1-yl)propanoic acid

(2R)-2-amino-2-(triazol-1-yl)propanoic acid (PubChem CID 91491441) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (2R)-2-amino-2-(triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(triazol-1-yl)propanoic acid
PubChem CID91491441
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(2R)-2-amino-2-(triazol-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)n1ccnn1
InChIInChI=1S/C5H8N4O2/c1-5(6,4(10)11)9-3-2-7-8-9/h2-3H,6H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyYUJBKRGSZQYASG-RXMQYKEDSA-N
XLogP-1.01
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-2-(triazol-1-yl)propylidene]hydroxylamine
CID 152759396
triazol-1-ylmethyl 2,2-dimethylpropanoate
CID 142289422
3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
[[2-methyl-2-(triazol-1-yl)butylidene]amino] N-methylcarbamate
CID 54217361
(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid
CID 18601096
3-phenyl-3-sulfanyl-3-(triazol-1-yl)propanoic acid
CID 135340362
carboxy(triazol-1-yl)carbamic acid
CID 67445650
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
(3S)-2-amino-3-methyl-3-sulfino-4-(triazol-1-yl)butanoic acid
CID 155888287
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
CID 140576476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(triazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(triazol-1-yl)propanoic acid (CID 91491441) is (2R)-2-amino-2-(triazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(triazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(triazol-1-yl)propanoic acid is C[C@](N)(C(=O)O)n1ccnn1.
What is the InChIKey of (2R)-2-amino-2-(triazol-1-yl)propanoic acid?
The InChIKey is YUJBKRGSZQYASG-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-5(6,4(10)11)9-3-2-7-8-9/h2-3H,6H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-2-(triazol-1-yl)propanoic acid?
(2R)-2-amino-2-(triazol-1-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(triazol-1-yl)propanoic acid is sourced from PubChem (CID 91491441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).