1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C11H17N5O3 — CID 55038109

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cnnc1CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17N5O3/c1-16-7-13-15-8(16)6-12-10(19)14-11(9(17)18)4-2-3-5-11/h7H,2-6H2,1H3,(H,17,18)(H2,12,14,19)
InChIKeyLRNCAYXYQLMGNF-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.01
Rot. Bonds4

About 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 55038109) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID55038109
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCn1cnnc1CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17N5O3/c1-16-7-13-15-8(16)6-12-10(19)14-11(9(17)18)4-2-3-5-11/h7H,2-6H2,1H3,(H,17,18)(H2,12,14,19)
InChIKeyLRNCAYXYQLMGNF-UHFFFAOYSA-N
XLogP0.01
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 55038109) is 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cn1cnnc1CNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LRNCAYXYQLMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-16-7-13-15-8(16)6-12-10(19)14-11(9(17)18)4-2-3-5-11/h7H,2-6H2,1H3,(H,17,18)(H2,12,14,19).
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55038109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).