1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid

C12H19N5O3 — CID 107500199

IUPAC1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC1(C(=O)NCCn2cc(C(=O)O)nn2)CCCC1N
InChIInChI=1S/C12H19N5O3/c1-12(4-2-3-9(12)13)11(20)14-5-6-17-7-8(10(18)19)15-16-17/h7,9H,2-6,13H2,1H3,(H,14,20)(H,18,19)
InChIKeyKGVNMGMZTXQTTG-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.39
Rot. Bonds5

About 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 107500199) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID107500199
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC1(C(=O)NCCn2cc(C(=O)O)nn2)CCCC1N
InChIInChI=1S/C12H19N5O3/c1-12(4-2-3-9(12)13)11(20)14-5-6-17-7-8(10(18)19)15-16-17/h7,9H,2-6,13H2,1H3,(H,14,20)(H,18,19)
InChIKeyKGVNMGMZTXQTTG-UHFFFAOYSA-N
XLogP-0.39
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid (CID 107500199) is 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid is CC1(C(=O)NCCn2cc(C(=O)O)nn2)CCCC1N.
What is the InChIKey of 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is KGVNMGMZTXQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(4-2-3-9(12)13)11(20)14-5-6-17-7-8(10(18)19)15-16-17/h7,9H,2-6,13H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 107500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).