tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid

C10H20N2O2 — CID 146156377

IUPACtert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
SMILESCC1CNCC1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12(9(13)14)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyZOHFTVJKGRLFAG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid

tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid (PubChem CID 146156377) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
PubChem CID146156377
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
SMILESCC1CNCC1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12(9(13)14)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyZOHFTVJKGRLFAG-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407
tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
CID 67130699
tert-butyl-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamic acid
CID 45092306
tert-butyl-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014333
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
CID 67307566
tert-butyl-[(3R,4R)-4-methoxypiperidin-3-yl]carbamic acid
CID 67045457
tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
CID 57486906
2-[methyl-(4-methylpyrrolidin-3-yl)amino]acetamide
CID 81460239
tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
CID 118638510
N-(2,2-dimethylpropyl)-N,4-dimethylpyrrolidin-3-amine
CID 81459485
[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
CID 118874609
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid (CID 146156377) is tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid is CC1CNCC1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid?
The InChIKey is ZOHFTVJKGRLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12(9(13)14)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid?
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 146156377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).