2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid

C11H18N4O2 — CID 107067070

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CC(CN)(CC2CC2)C(=O)O)nn1
InChIInChI=1S/C11H18N4O2/c1-15-6-9(13-14-15)5-11(7-12,10(16)17)4-8-2-3-8/h6,8H,2-5,7,12H2,1H3,(H,16,17)
InChIKeySHZWOOHSZXVOEU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.19
Rot. Bonds6

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid (PubChem CID 107067070) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid
PubChem CID107067070
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CC(CN)(CC2CC2)C(=O)O)nn1
InChIInChI=1S/C11H18N4O2/c1-15-6-9(13-14-15)5-11(7-12,10(16)17)4-8-2-3-8/h6,8H,2-5,7,12H2,1H3,(H,16,17)
InChIKeySHZWOOHSZXVOEU-UHFFFAOYSA-N
XLogP0.19
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid 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

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 106490163
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067072
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107061549
2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
CID 106490159
2-(aminomethyl)-2-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067078
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
CID 106490075
methyl 2-(aminomethyl)-3-(1-methyltriazol-4-yl)-2-phenylpropanoate
CID 107067060
2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057883
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid (CID 107067070) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid is Cn1cc(CC(CN)(CC2CC2)C(=O)O)nn1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid?
The InChIKey is SHZWOOHSZXVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-6-9(13-14-15)5-11(7-12,10(16)17)4-8-2-3-8/h6,8H,2-5,7,12H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 107067070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).