methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate

C11H18N4O2 — CID 106489590

IUPACmethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate
SMILESCOC(=O)C(CN)(Cc1ncnn1C)C1CC1
InChIInChI=1S/C11H18N4O2/c1-15-9(13-7-14-15)5-11(6-12,8-3-4-8)10(16)17-2/h7-8H,3-6,12H2,1-2H3
InChIKeyOQZMHDYAPASARV-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.11
Rot. Bonds5

About methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate

methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate (PubChem CID 106489590) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate
PubChem CID106489590
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate
SMILESCOC(=O)C(CN)(Cc1ncnn1C)C1CC1
InChIInChI=1S/C11H18N4O2/c1-15-9(13-7-14-15)5-11(6-12,8-3-4-8)10(16)17-2/h7-8H,3-6,12H2,1-2H3
InChIKeyOQZMHDYAPASARV-UHFFFAOYSA-N
XLogP-0.11
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-ethyl-1,2,4-triazol-3-yl)propanoate
CID 106489512
1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66001850
diethyl 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanedioate
CID 103973062
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
CID 106489483
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
methyl 3-amino-2-[(4-amino-3-fluorophenyl)methyl]-2-cyclopropylpropanoate
CID 106489495
N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 83159530
2-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102640312
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 106489762
2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
CID 140525695
2-methyl-3-(methylamino)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-oxopropanoic acid
CID 114900012

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate (CID 106489590) is methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate is COC(=O)C(CN)(Cc1ncnn1C)C1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate?
The InChIKey is OQZMHDYAPASARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-9(13-7-14-15)5-11(6-12,8-3-4-8)10(16)17-2/h7-8H,3-6,12H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate?
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate has a molecular weight of 238.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate is sourced from PubChem (CID 106489590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).