(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid

C16H19N3O4 — CID 119364440

IUPAC(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
SMILESCc1noc(-c2ccccc2C(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C16H19N3O4/c1-9(2)8-13(16(21)22)18-14(20)11-6-4-5-7-12(11)15-17-10(3)19-23-15/h4-7,9,13H,8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyRFWYQYQRASSLFY-CYBMUJFWSA-N
MW317.35 g/mol
LogP2.27
Rot. Bonds6

About (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid (PubChem CID 119364440) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
PubChem CID119364440
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
SMILESCc1noc(-c2ccccc2C(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C16H19N3O4/c1-9(2)8-13(16(21)22)18-14(20)11-6-4-5-7-12(11)15-17-10(3)19-23-15/h4-7,9,13H,8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyRFWYQYQRASSLFY-CYBMUJFWSA-N
XLogP2.27
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
CID 119253201
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
N-[2-(methylamino)propyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120827644
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119590942
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
(2S)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]hexanoic acid
CID 120614642
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
CID 119244546
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 126774730
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]sulfamoyl]propanoic acid
CID 61455232
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid (CID 119364440) is (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid is Cc1noc(-c2ccccc2C(=O)N[C@H](CC(C)C)C(=O)O)n1.
What is the InChIKey of (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid?
The InChIKey is RFWYQYQRASSLFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9(2)8-13(16(21)22)18-14(20)11-6-4-5-7-12(11)15-17-10(3)19-23-15/h4-7,9,13H,8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119364440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).