(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide

C16H23N5O — CID 119822438

IUPAC(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-11(2)9-14(17)16(22)18-12(3)15-10-21(20-19-15)13-7-5-4-6-8-13/h4-8,10-12,14H,9,17H2,1-3H3,(H,18,22)/t12?,14-/m0/s1
InChIKeyKUPJVNOFXSSOER-PYMCNQPYSA-N
MW301.39 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide (PubChem CID 119822438) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
PubChem CID119822438
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-11(2)9-14(17)16(22)18-12(3)15-10-21(20-19-15)13-7-5-4-6-8-13/h4-8,10-12,14H,9,17H2,1-3H3,(H,18,22)/t12?,14-/m0/s1
InChIKeyKUPJVNOFXSSOER-PYMCNQPYSA-N
XLogP1.82
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119345704
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 97089427
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
4-[1-(1-phenyltriazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674668
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119822429
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea
CID 97009226
2-amino-4-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 43703576
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-[ethyl-[3-[1-(1-phenyltriazol-4-yl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122006792
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide (CID 119822438) is (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide is CC(C)C[C@H](N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide?
The InChIKey is KUPJVNOFXSSOER-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(2)9-14(17)16(22)18-12(3)15-10-21(20-19-15)13-7-5-4-6-8-13/h4-8,10-12,14H,9,17H2,1-3H3,(H,18,22)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide has a molecular weight of 301.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 119822438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).