1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C11H17N5O3 — CID 106283274

IUPAC1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCC1)c1ncn[nH]1
InChIInChI=1S/C11H17N5O3/c1-7(8-13-6-14-16-8)15-10(19)12-5-11(9(17)18)3-2-4-11/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,15,19)(H,13,14,16)
InChIKeyFKHCLHVQRKGGPN-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.42
Rot. Bonds5

About 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 106283274) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID106283274
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCC1)c1ncn[nH]1
InChIInChI=1S/C11H17N5O3/c1-7(8-13-6-14-16-8)15-10(19)12-5-11(9(17)18)3-2-4-11/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,15,19)(H,13,14,16)
InChIKeyFKHCLHVQRKGGPN-UHFFFAOYSA-N
XLogP0.42
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106283407
1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106283288
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106283395
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
3-methyl-2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283266
3-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 114168133
1-phenyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103886618
2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283453
2-hydroxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283197
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130162767
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75518109

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 106283274) is 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC(NC(=O)NCC1(C(=O)O)CCC1)c1ncn[nH]1.
What is the InChIKey of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is FKHCLHVQRKGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(8-13-6-14-16-8)15-10(19)12-5-11(9(17)18)3-2-4-11/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,15,19)(H,13,14,16).
What are the key properties of 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106283274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).