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

C9H14N4O3 — CID 43431247

IUPACmethyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-12(7-9(15)16-2)8(14)3-5-13-6-4-10-11-13/h4,6H,3,5,7H2,1-2H3
InChIKeyDRNPGGXVNDXZEJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.70
Rot. Bonds5

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

methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate (PubChem CID 43431247) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate
PubChem CID43431247
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Namemethyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-12(7-9(15)16-2)8(14)3-5-13-6-4-10-11-13/h4,6H,3,5,7H2,1-2H3
InChIKeyDRNPGGXVNDXZEJ-UHFFFAOYSA-N
XLogP-0.70
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Triazol-1-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258889
Methyl 2-(triazol-1-yl)propanoate
CID 20041502
2-[3-(Triazol-1-yl)propanoylamino]acetic acid
CID 28789423
2-[Methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 28789980
N,N-diethyl-3-(triazol-1-yl)propanamide
CID 39975228
Methyl 3-methyl-2-[3-(triazol-1-yl)propanoylamino]butanoate
CID 43423188
Methyl 2-[3-(triazol-1-yl)propanoylamino]acetate
CID 43431249
2-[[2-[3-(Triazol-1-yl)propanoylamino]acetyl]amino]acetic acid
CID 43465508
2-[4-[3-(Triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
CID 43521412
2-[Cyclopropylmethyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 43655882
Ethyl 2-[propan-2-yl-[3-(triazol-1-yl)propanoyl]amino]acetate
CID 54896539
Methyl 3-[ethyl-[3-(triazol-1-yl)propanoyl]amino]propanoate
CID 54898780

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate (CID 43431247) is methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate is COC(=O)CN(C)C(=O)CCn1ccnn1.
What is the InChIKey of methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate?
The InChIKey is DRNPGGXVNDXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-12(7-9(15)16-2)8(14)3-5-13-6-4-10-11-13/h4,6H,3,5,7H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate?
methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetate is sourced from PubChem (CID 43431247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).