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

C12H18N2O5 — CID 66173602

IUPAC2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-6(2)9-8(7(3)14-19-9)10(15)13-5-12(4,18)11(16)17/h6,18H,5H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyIDYDPOLLLHFUGR-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.67
Rot. Bonds5

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

2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 66173602) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID66173602
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-6(2)9-8(7(3)14-19-9)10(15)13-5-12(4,18)11(16)17/h6,18H,5H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyIDYDPOLLLHFUGR-UHFFFAOYSA-N
XLogP0.67
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62041995
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60827139
(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-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 66173602) is 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1noc(C(C)C)c1C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is IDYDPOLLLHFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-6(2)9-8(7(3)14-19-9)10(15)13-5-12(4,18)11(16)17/h6,18H,5H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66173602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).