2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid

C10H18N4O2 — CID 107045011

IUPAC2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
SMILESCCC(CC)(NCc1cn(C)nn1)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-4-10(5-2,9(15)16)11-6-8-7-14(3)13-12-8/h7,11H,4-6H2,1-3H3,(H,15,16)
InChIKeyDLUCZOVPZIZFNQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.55
Rot. Bonds6

About 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid

2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid (PubChem CID 107045011) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
PubChem CID107045011
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
SMILESCCC(CC)(NCc1cn(C)nn1)C(=O)O
InChIInChI=1S/C10H18N4O2/c1-4-10(5-2,9(15)16)11-6-8-7-14(3)13-12-8/h7,11H,4-6H2,1-3H3,(H,15,16)
InChIKeyDLUCZOVPZIZFNQ-UHFFFAOYSA-N
XLogP0.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic 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

3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
CID 62755426
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
CID 107044966
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
3-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755404
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755761

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid (CID 107045011) is 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid is CCC(CC)(NCc1cn(C)nn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid?
The InChIKey is DLUCZOVPZIZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-10(5-2,9(15)16)11-6-8-7-14(3)13-12-8/h7,11H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid?
2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 107045011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).