3-(methylamino)butan-2-yl N-tert-butylcarbamate

C10H22N2O2 — CID 118420980

IUPAC3-(methylamino)butan-2-yl N-tert-butylcarbamate
SMILESCNC(C)C(C)OC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(11-6)8(2)14-9(13)12-10(3,4)5/h7-8,11H,1-6H3,(H,12,13)
InChIKeyBBRRYPPJJQUELI-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds3

About 3-(methylamino)butan-2-yl N-tert-butylcarbamate

3-(methylamino)butan-2-yl N-tert-butylcarbamate (PubChem CID 118420980) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(methylamino)butan-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-(methylamino)butan-2-yl N-tert-butylcarbamate
PubChem CID118420980
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(methylamino)butan-2-yl N-tert-butylcarbamate
SMILESCNC(C)C(C)OC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-7(11-6)8(2)14-9(13)12-10(3,4)5/h7-8,11H,1-6H3,(H,12,13)
InChIKeyBBRRYPPJJQUELI-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(tert-butylcarbamoyloxy)-3,3-dimethylbutanoic acid
CID 58690969
(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
CID 174489750
[(2S)-but-3-yn-2-yl] N-tert-butylcarbamate
CID 142798717
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
tert-butylcarbamoyl (2S)-2-aminopropanoate
CID 90807776
[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
CID 91297096
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
[(3S,4S)-4-methylocta-1,7-dien-3-yl] N-tert-butylcarbamate
CID 140541177
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-methoxypropyl N-tert-butylcarbamate
CID 174838814

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)butan-2-yl N-tert-butylcarbamate?
The IUPAC name of 3-(methylamino)butan-2-yl N-tert-butylcarbamate (CID 118420980) is 3-(methylamino)butan-2-yl N-tert-butylcarbamate.
What is the SMILES notation for 3-(methylamino)butan-2-yl N-tert-butylcarbamate?
The canonical SMILES for 3-(methylamino)butan-2-yl N-tert-butylcarbamate is CNC(C)C(C)OC(=O)NC(C)(C)C.
What is the InChIKey of 3-(methylamino)butan-2-yl N-tert-butylcarbamate?
The InChIKey is BBRRYPPJJQUELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(11-6)8(2)14-9(13)12-10(3,4)5/h7-8,11H,1-6H3,(H,12,13).
What are the key properties of 3-(methylamino)butan-2-yl N-tert-butylcarbamate?
3-(methylamino)butan-2-yl N-tert-butylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)butan-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 118420980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).