tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate

C13H25N3O3 — CID 143050609

IUPACtert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCNC1)C(C)(C)N=O
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)15-10(13(4,5)16-18)9-6-7-14-8-9/h9-10,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyBKIORWOEQFTIDG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.03
Rot. Bonds4

About tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate

tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate (PubChem CID 143050609) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate
PubChem CID143050609
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCNC1)C(C)(C)N=O
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)15-10(13(4,5)16-18)9-6-7-14-8-9/h9-10,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyBKIORWOEQFTIDG-UHFFFAOYSA-N
XLogP2.03
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 20741396
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl N-(1-piperidin-4-ylethylamino)carbamate
CID 130856094
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate (CID 143050609) is tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate is CC(C)(C)OC(=O)NC(C1CCNC1)C(C)(C)N=O.
What is the InChIKey of tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate?
The InChIKey is BKIORWOEQFTIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)15-10(13(4,5)16-18)9-6-7-14-8-9/h9-10,14H,6-8H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate?
tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate is sourced from PubChem (CID 143050609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).