tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid

C14H22N2O2 — CID 166745721

IUPACtert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid
SMILESCC(C)(CN(C(=O)O)C(C)(C)C)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)16(12(17)18)10-14(4,5)11-6-8-15-9-7-11/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyKLVHMIIEYZNPHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid

tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid (PubChem CID 166745721) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid
PubChem CID166745721
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid
SMILESCC(C)(CN(C(=O)O)C(C)(C)C)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)16(12(17)18)10-14(4,5)11-6-8-15-9-7-11/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyKLVHMIIEYZNPHF-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
CID 118692225
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid?
The IUPAC name of tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid (CID 166745721) is tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid.
What is the SMILES notation for tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid?
The canonical SMILES for tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid is CC(C)(CN(C(=O)O)C(C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid?
The InChIKey is KLVHMIIEYZNPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)16(12(17)18)10-14(4,5)11-6-8-15-9-7-11/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid?
tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid has a molecular weight of 250.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid is sourced from PubChem (CID 166745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).