(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate

C12H22N2O3 — CID 142766919

IUPAC(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
SMILESCC(=O)N1CCC(COC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-6-5-10(7-14)8-17-11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyBSFGZGSBQMQMKY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds2

About (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate

(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate (PubChem CID 142766919) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
PubChem CID142766919
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
SMILESCC(=O)N1CCC(COC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(15)14-6-5-10(7-14)8-17-11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16)
InChIKeyBSFGZGSBQMQMKY-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
CID 174605305
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
(1-acetylpyrrolidin-3-yl)methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
CID 166270235
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
4-(1-benzoylpyrrolidin-3-yl)butyl N-tert-butylcarbamate
CID 174728422
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
[(2S)-3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl] N-tert-butylcarbamate
CID 174990709

Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate?
The IUPAC name of (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate (CID 142766919) is (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate?
The canonical SMILES for (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate is CC(=O)N1CCC(COC(=O)NC(C)(C)C)C1.
What is the InChIKey of (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate?
The InChIKey is BSFGZGSBQMQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)14-6-5-10(7-14)8-17-11(16)13-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,16).
What are the key properties of (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate?
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 142766919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).