1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C10H15N5O3 — CID 113312267

IUPAC1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCCn1cc(C(=O)NCC2(C(=O)O)CC2)nn1
InChIInChI=1S/C10H15N5O3/c11-3-4-15-5-7(13-14-15)8(16)12-6-10(1-2-10)9(17)18/h5H,1-4,6,11H2,(H,12,16)(H,17,18)
InChIKeyJFXXBUQIDBIDSW-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.17
Rot. Bonds6

About 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312267) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312267
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCCn1cc(C(=O)NCC2(C(=O)O)CC2)nn1
InChIInChI=1S/C10H15N5O3/c11-3-4-15-5-7(13-14-15)8(16)12-6-10(1-2-10)9(17)18/h5H,1-4,6,11H2,(H,12,16)(H,17,18)
InChIKeyJFXXBUQIDBIDSW-UHFFFAOYSA-N
XLogP-1.17
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
CID 103966689
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479
1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
CID 106337535
1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 82873730
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)triazole-4-carboxamide
CID 114186214
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
1-(2-aminoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70769257
1-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115460265
1-(2-aminoethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxamide
CID 70788626

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 113312267) is 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is NCCn1cc(C(=O)NCC2(C(=O)O)CC2)nn1.
What is the InChIKey of 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JFXXBUQIDBIDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-3-4-15-5-7(13-14-15)8(16)12-6-10(1-2-10)9(17)18/h5H,1-4,6,11H2,(H,12,16)(H,17,18).
What are the key properties of 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).