2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

C11H22N2O3 — CID 58871556

IUPAC2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCC(C)COC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H22N2O3/c1-5-9(4)7-16-11(15)12-6-10(14)13-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyAYAZOKODLHHXEZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.28
Rot. Bonds6

About 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 58871556) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID58871556
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCC(C)COC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H22N2O3/c1-5-9(4)7-16-11(15)12-6-10(14)13-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyAYAZOKODLHHXEZ-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
2-methylbutyl N-propylcarbamate
CID 127538020
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
CID 142115980
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
2-methylbutyl acetate
CID 90958828
2-methylbutyl 2-aminooxypropanoate
CID 178072336
2-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 114995560
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
methane;2-methylbutyl acetate
CID 160631044

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 58871556) is 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CCC(C)COC(=O)NCC(=O)NC(C)C.
What is the InChIKey of 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is AYAZOKODLHHXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(4)7-16-11(15)12-6-10(14)13-8(2)3/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 58871556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).