ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate

C13H19N5O3 — CID 79319742

IUPACethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1
InChIInChI=1S/C13H19N5O3/c1-2-21-12(19)8-17(9-3-4-9)13(20)11-7-18(16-15-11)10-5-14-6-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyBHBIOUFALNIKNI-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.41
Rot. Bonds6

About ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate

ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate (PubChem CID 79319742) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
PubChem CID79319742
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1
InChIInChI=1S/C13H19N5O3/c1-2-21-12(19)8-17(9-3-4-9)13(20)11-7-18(16-15-11)10-5-14-6-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyBHBIOUFALNIKNI-UHFFFAOYSA-N
XLogP-0.41
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
CID 79315991
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 54983831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate (CID 79319742) is ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1.
What is the InChIKey of ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate?
The InChIKey is BHBIOUFALNIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-21-12(19)8-17(9-3-4-9)13(20)11-7-18(16-15-11)10-5-14-6-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate?
ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate has a molecular weight of 293.33 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate is sourced from PubChem (CID 79319742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).