tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol

C11H23NO4 — CID 174805549

IUPACtert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)OC(=O)O.CC1(CO)CCCN1
InChIInChI=1S/C6H13NO.C5H10O3/c1-6(5-8)3-2-4-7-6;1-5(2,3)8-4(6)7/h7-8H,2-5H2,1H3;1-3H3,(H,6,7)
InChIKeyFMNBHLBZWGECTL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol

tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol (PubChem CID 174805549) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Nametert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
PubChem CID174805549
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)OC(=O)O.CC1(CO)CCCN1
InChIInChI=1S/C6H13NO.C5H10O3/c1-6(5-8)3-2-4-7-6;1-5(2,3)8-4(6)7/h7-8H,2-5H2,1H3;1-3H3,(H,6,7)
InChIKeyFMNBHLBZWGECTL-UHFFFAOYSA-N
XLogP1.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 125498081
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014
2-(3,3-dimethylbutyl)-2-methylpyrrolidine
CID 66466219
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
3-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid
CID 70116830
tert-butyl 2-(2-methylpropoxy)pyrrolidine-2-carboxylate
CID 91169960
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596135
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 118856116

Frequently Asked Questions

What is the IUPAC name of tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol?
The IUPAC name of tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol (CID 174805549) is tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol is CC(C)(C)OC(=O)O.CC1(CO)CCCN1.
What is the InChIKey of tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol?
The InChIKey is FMNBHLBZWGECTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H10O3/c1-6(5-8)3-2-4-7-6;1-5(2,3)8-4(6)7/h7-8H,2-5H2,1H3;1-3H3,(H,6,7).
What are the key properties of tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol?
tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol has a molecular weight of 233.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 174805549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).