(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid

C18H24N4O3 — CID 119370297

IUPAC(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid
SMILESCCCc1c(C(=O)N[C@H](C)C(=O)O)nnn1-c1cccc(C(C)C)c1
InChIInChI=1S/C18H24N4O3/c1-5-7-15-16(17(23)19-12(4)18(24)25)20-21-22(15)14-9-6-8-13(10-14)11(2)3/h6,8-12H,5,7H2,1-4H3,(H,19,23)(H,24,25)/t12-/m1/s1
InChIKeyZIBSTOLEOUBGLQ-GFCCVEGCSA-N
MW344.42 g/mol
LogP2.55
Rot. Bonds7

About (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid

(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid (PubChem CID 119370297) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid
PubChem CID119370297
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid
SMILESCCCc1c(C(=O)N[C@H](C)C(=O)O)nnn1-c1cccc(C(C)C)c1
InChIInChI=1S/C18H24N4O3/c1-5-7-15-16(17(23)19-12(4)18(24)25)20-21-22(15)14-9-6-8-13(10-14)11(2)3/h6,8-12H,5,7H2,1-4H3,(H,19,23)(H,24,25)/t12-/m1/s1
InChIKeyZIBSTOLEOUBGLQ-GFCCVEGCSA-N
XLogP2.55
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
2-methyl-1-(1-phenyl-5-propyltriazol-4-yl)propan-1-one
CID 118564531
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide;hydrochloride
CID 119476108
5-butyl-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 82201038
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
2-[[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119346735
1-(3-chlorophenyl)-N-piperidin-3-yl-5-propyltriazole-4-carboxamide
CID 119426032
1-(3,4-difluorophenyl)-5-propyltriazole-4-carboxylic acid
CID 43325118
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid (CID 119370297) is (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid is CCCc1c(C(=O)N[C@H](C)C(=O)O)nnn1-c1cccc(C(C)C)c1.
What is the InChIKey of (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid?
The InChIKey is ZIBSTOLEOUBGLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-7-15-16(17(23)19-12(4)18(24)25)20-21-22(15)14-9-6-8-13(10-14)11(2)3/h6,8-12H,5,7H2,1-4H3,(H,19,23)(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid?
(2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid has a molecular weight of 344.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(3-propan-2-ylphenyl)-5-propyltriazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119370297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).