methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate

C11H18N4O3 — CID 55005668

IUPACmethyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O3/c1-3-5-14(7-11(17)18-2)10(16)4-6-15-9-12-8-13-15/h8-9H,3-7H2,1-2H3
InChIKeyAXINBHUMUMRQDW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.08
Rot. Bonds7

About methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate

methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate (PubChem CID 55005668) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
PubChem CID55005668
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O3/c1-3-5-14(7-11(17)18-2)10(16)4-6-15-9-12-8-13-15/h8-9H,3-7H2,1-2H3
InChIKeyAXINBHUMUMRQDW-UHFFFAOYSA-N
XLogP0.08
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate 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

N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
CID 78970605
methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
CID 55148837
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 54898636
methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005715
ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 55148204
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 56805253
methyl (2R)-2-[cyclobutyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]propanoate
CID 124841521

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate (CID 55005668) is methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate is CCCN(CC(=O)OC)C(=O)CCn1cncn1.
What is the InChIKey of methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The InChIKey is AXINBHUMUMRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-5-14(7-11(17)18-2)10(16)4-6-15-9-12-8-13-15/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate has a molecular weight of 254.29 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate is sourced from PubChem (CID 55005668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).