methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate

C15H19N5O4 — CID 175662114

IUPACmethyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
SMILESCOC(=O)C(N)Cn1cc(C(=O)NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H19N5O4/c1-23-11-5-3-10(4-6-11)7-17-14(21)13-9-20(19-18-13)8-12(16)15(22)24-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,21)
InChIKeyUHEUNROAWCBYME-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.28
Rot. Bonds7

About methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate

methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate (PubChem CID 175662114) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
PubChem CID175662114
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
SMILESCOC(=O)C(N)Cn1cc(C(=O)NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H19N5O4/c1-23-11-5-3-10(4-6-11)7-17-14(21)13-9-20(19-18-13)8-12(16)15(22)24-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,21)
InChIKeyUHEUNROAWCBYME-UHFFFAOYSA-N
XLogP-0.28
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 146064976
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 39089231
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158291
2-[4-[(6-methoxy-3-pyridinyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290431
N-benzyl-1-[[1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144050
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate (CID 175662114) is methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate is COC(=O)C(N)Cn1cc(C(=O)NCc2ccc(OC)cc2)nn1.
What is the InChIKey of methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate?
The InChIKey is UHEUNROAWCBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-23-11-5-3-10(4-6-11)7-17-14(21)13-9-20(19-18-13)8-12(16)15(22)24-2/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,21).
What are the key properties of methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate?
methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate has a molecular weight of 333.35 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate is sourced from PubChem (CID 175662114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).