2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid

C19H24N4O4 — CID 119203581

IUPAC2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H24N4O4/c1-11(2)27-16-9-7-15(8-10-16)23-12(3)17(20-21-23)18(24)22(14-5-6-14)13(4)19(25)26/h7-11,13-14H,5-6H2,1-4H3,(H,25,26)
InChIKeyBHQAZKKXVJOOEI-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.44
Rot. Bonds7

About 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid

2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid (PubChem CID 119203581) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid
PubChem CID119203581
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H24N4O4/c1-11(2)27-16-9-7-15(8-10-16)23-12(3)17(20-21-23)18(24)22(14-5-6-14)13(4)19(25)26/h7-11,13-14H,5-6H2,1-4H3,(H,25,26)
InChIKeyBHQAZKKXVJOOEI-UHFFFAOYSA-N
XLogP2.44
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119561301
(2R)-3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 124689371
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 124589610
5-methyl-N-[2-(methylamino)propyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120831805
2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119172030
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxylate
CID 99809878
[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxylate
CID 124729237
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119622999
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119489808
[2-(aminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119632254
5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119556632

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid (CID 119203581) is 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid is Cc1c(C(=O)N(C2CC2)C(C)C(=O)O)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid?
The InChIKey is BHQAZKKXVJOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-11(2)27-16-9-7-15(8-10-16)23-12(3)17(20-21-23)18(24)22(14-5-6-14)13(4)19(25)26/h7-11,13-14H,5-6H2,1-4H3,(H,25,26).
What are the key properties of 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid has a molecular weight of 372.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119203581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).