ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate

C10H16N4O2 — CID 63921669

IUPACethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)C(N)(Cn1cncn1)C1CC1
InChIInChI=1S/C10H16N4O2/c1-2-16-9(15)10(11,8-3-4-8)5-14-7-12-6-13-14/h6-8H,2-5,11H2,1H3
InChIKeyGIIZQAZDOGCDLF-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.05
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate (PubChem CID 63921669) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate
PubChem CID63921669
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)C(N)(Cn1cncn1)C1CC1
InChIInChI=1S/C10H16N4O2/c1-2-16-9(15)10(11,8-3-4-8)5-14-7-12-6-13-14/h6-8H,2-5,11H2,1H3
InChIKeyGIIZQAZDOGCDLF-UHFFFAOYSA-N
XLogP-0.05
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate with MolForge

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Related Compounds

ethyl 3-(1-chlorocyclopropyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanoate
CID 156631901
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 23324896
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
ethyl 2-(cyclopropylamino)-4-(1,2,4-triazol-1-yl)butanoate
CID 63041057
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 63906631
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508
ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
ethyl 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-cyclopropylpropanoate
CID 102728050
ethyl 2-amino-2-cyclopropyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63919488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate (CID 63921669) is ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate is CCOC(=O)C(N)(Cn1cncn1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate?
The InChIKey is GIIZQAZDOGCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-16-9(15)10(11,8-3-4-8)5-14-7-12-6-13-14/h6-8H,2-5,11H2,1H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate has a molecular weight of 224.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate is sourced from PubChem (CID 63921669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).