tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate

C11H20N2O3 — CID 125498081

IUPACtert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-8(14)11(4)6-5-7-12-11/h12H,5-7H2,1-4H3,(H,13,14,15)/t11-/m0/s1
InChIKeySWWHWHNXCOUBDW-NSHDSACASA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds1

About tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate

tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate (PubChem CID 125498081) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
PubChem CID125498081
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-8(14)11(4)6-5-7-12-11/h12H,5-7H2,1-4H3,(H,13,14,15)/t11-/m0/s1
InChIKeySWWHWHNXCOUBDW-NSHDSACASA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 141351326
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596135
tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
CID 174805549
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
methyl (E)-3-(1-methylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 68907012
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
CID 90329982
2-methyl-N-prop-2-ynoxypiperidine-2-carboxamide
CID 130847325
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate (CID 125498081) is tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate is CC(C)(C)OC(=O)NC(=O)[C@]1(C)CCCN1.
What is the InChIKey of tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The InChIKey is SWWHWHNXCOUBDW-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-8(14)11(4)6-5-7-12-11/h12H,5-7H2,1-4H3,(H,13,14,15)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate is sourced from PubChem (CID 125498081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).