[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid

C16H24N2O4 — CID 175129394

IUPAC[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid
SMILESCc1ccc(N(C(=O)O)C(C)(C)CC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N2O4/c1-11-7-8-12(17-10-11)18(14(20)21)16(5,6)9-13(19)22-15(2,3)4/h7-8,10H,9H2,1-6H3,(H,20,21)
InChIKeyKTYJWFXJXKRNHG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.38
Rot. Bonds4

About [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid

[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid (PubChem CID 175129394) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid.

Molecular Properties

Compound Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid
PubChem CID175129394
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid
SMILESCc1ccc(N(C(=O)O)C(C)(C)CC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H24N2O4/c1-11-7-8-12(17-10-11)18(14(20)21)16(5,6)9-13(19)22-15(2,3)4/h7-8,10H,9H2,1-6H3,(H,20,21)
InChIKeyKTYJWFXJXKRNHG-UHFFFAOYSA-N
XLogP3.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic 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

tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetic acid
CID 153368015
tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-methyl-N-[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamate
CID 164822286
3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
benzyl-(5-methyl-2-pyridinyl)carbamothioic S-acid
CID 88786150
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
3-amino-3-(5-methyl-2-pyridinyl)butanoic acid
CID 55298060
tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
CID 68888242
tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid?
The IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid (CID 175129394) is [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid.
What is the SMILES notation for [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid?
The canonical SMILES for [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid is Cc1ccc(N(C(=O)O)C(C)(C)CC(=O)OC(C)(C)C)nc1.
What is the InChIKey of [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid?
The InChIKey is KTYJWFXJXKRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11-7-8-12(17-10-11)18(14(20)21)16(5,6)9-13(19)22-15(2,3)4/h7-8,10H,9H2,1-6H3,(H,20,21).
What are the key properties of [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid?
[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid has a molecular weight of 308.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-(5-methyl-2-pyridinyl)carbamic acid is sourced from PubChem (CID 175129394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).