3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid

C14H22N2O4 — CID 65219995

IUPAC3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O4/c1-7(2)10(14(18)19)6-15-13(17)11-9(5)16-20-12(11)8(3)4/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyBSZQIHHBPYUGAM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.19
Rot. Bonds6

About 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid

3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid (PubChem CID 65219995) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
PubChem CID65219995
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O4/c1-7(2)10(14(18)19)6-15-13(17)11-9(5)16-20-12(11)8(3)4/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyBSZQIHHBPYUGAM-UHFFFAOYSA-N
XLogP2.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 66173602
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 95593417
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366
4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 43353375
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid (CID 65219995) is 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid is Cc1noc(C(C)C)c1C(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid?
The InChIKey is BSZQIHHBPYUGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-7(2)10(14(18)19)6-15-13(17)11-9(5)16-20-12(11)8(3)4/h7-8,10H,6H2,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid?
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).