(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid

C10H15N5O4 — CID 28791023

IUPAC(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CCn1cncn1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)2-1-7(10(18)19)14-9(17)3-4-15-6-12-5-13-15/h5-7H,1-4H2,(H2,11,16)(H,14,17)(H,18,19)/t7-/m1/s1
InChIKeyHCTUWGMNPYECKE-SSDOTTSWSA-N
MW269.26 g/mol
LogP-1.50
Rot. Bonds8

About (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid

(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid (PubChem CID 28791023) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
PubChem CID28791023
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CCn1cncn1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)2-1-7(10(18)19)14-9(17)3-4-15-6-12-5-13-15/h5-7H,1-4H2,(H2,11,16)(H,14,17)(H,18,19)/t7-/m1/s1
InChIKeyHCTUWGMNPYECKE-SSDOTTSWSA-N
XLogP-1.50
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid (CID 28791023) is (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid is NC(=O)CC[C@@H](NC(=O)CCn1cncn1)C(=O)O.
What is the InChIKey of (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid?
The InChIKey is HCTUWGMNPYECKE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8(16)2-1-7(10(18)19)14-9(17)3-4-15-6-12-5-13-15/h5-7H,1-4H2,(H2,11,16)(H,14,17)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid?
(2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 28791023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).