(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid

C9H15N5O4 — CID 107828886

IUPAC(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
SMILESO=C(NCCn1ccnn1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H15N5O4/c15-6-1-7(8(16)17)12-9(18)10-2-4-14-5-3-11-13-14/h3,5,7,15H,1-2,4,6H2,(H,16,17)(H2,10,12,18)/t7-/m1/s1
InChIKeyMAWAQXBFQGDNKR-SSDOTTSWSA-N
MW257.25 g/mol
LogP-1.59
Rot. Bonds7

About (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 107828886) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
PubChem CID107828886
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
SMILESO=C(NCCn1ccnn1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H15N5O4/c15-6-1-7(8(16)17)12-9(18)10-2-4-14-5-3-11-13-14/h3,5,7,15H,1-2,4,6H2,(H,16,17)(H2,10,12,18)/t7-/m1/s1
InChIKeyMAWAQXBFQGDNKR-SSDOTTSWSA-N
XLogP-1.59
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 113413111
(2S)-4-methyl-2-[2-(triazol-1-yl)ethylcarbamoylamino]pentanoic acid
CID 113413075
(2S)-2-[3-(triazol-1-yl)propylcarbamoylamino]hexanoic acid
CID 107146507
(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
4,4-dimethyl-2-[[2-(triazol-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474623
(2S)-2-(but-3-enylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828972
(2R)-4-hydroxy-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)butanoic acid
CID 114005613
4-methylsulfonyl-2-[3-(triazol-1-yl)propanoylamino]butanoic acid
CID 43107767
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 43211063

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid (CID 107828886) is (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid is O=C(NCCn1ccnn1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is MAWAQXBFQGDNKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N5O4/c15-6-1-7(8(16)17)12-9(18)10-2-4-14-5-3-11-13-14/h3,5,7,15H,1-2,4,6H2,(H,16,17)(H2,10,12,18)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[2-(triazol-1-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107828886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).