(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid

C7H10N4O4 — CID 28790408

IUPAC(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cncn1)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H10N4O4/c12-2-5(7(14)15)10-6(13)1-11-4-8-3-9-11/h3-5,12H,1-2H2,(H,10,13)(H,14,15)/t5-/m1/s1
InChIKeyKMLMYEWRDUITCU-RXMQYKEDSA-N
MW214.18 g/mol
LogP-2.16
Rot. Bonds5

About (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 28790408) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
PubChem CID28790408
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cncn1)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H10N4O4/c12-2-5(7(14)15)10-6(13)1-11-4-8-3-9-11/h3-5,12H,1-2H2,(H,10,13)(H,14,15)/t5-/m1/s1
InChIKeyKMLMYEWRDUITCU-RXMQYKEDSA-N
XLogP-2.16
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid (CID 28790408) is (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid is O=C(Cn1cncn1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is KMLMYEWRDUITCU-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N4O4/c12-2-5(7(14)15)10-6(13)1-11-4-8-3-9-11/h3-5,12H,1-2H2,(H,10,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 214.18 g/mol, XLogP of -2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 28790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).