methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate

C16H20N2O4 — CID 68951178

IUPACmethyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C16H20N2O4/c1-9(2)7-13(16(20)21-4)18-15(19)11-5-6-12-14(8-11)22-10(3)17-12/h5-6,8-9,13H,7H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyUFQDBHOMWOMDRS-CYBMUJFWSA-N
MW304.35 g/mol
LogP2.45
Rot. Bonds5

About methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate

methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate (PubChem CID 68951178) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate
PubChem CID68951178
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C16H20N2O4/c1-9(2)7-13(16(20)21-4)18-15(19)11-5-6-12-14(8-11)22-10(3)17-12/h5-6,8-9,13H,7H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyUFQDBHOMWOMDRS-CYBMUJFWSA-N
XLogP2.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl (2R)-2-[(3-bromobenzoyl)amino]-4-methylpentanoate
CID 40570434
methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate (CID 68951178) is methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(C)oc2c1.
What is the InChIKey of methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate?
The InChIKey is UFQDBHOMWOMDRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9(2)7-13(16(20)21-4)18-15(19)11-5-6-12-14(8-11)22-10(3)17-12/h5-6,8-9,13H,7H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate?
methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate has a molecular weight of 304.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate is sourced from PubChem (CID 68951178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).