tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

C11H22N2O3 — CID 87835041

IUPACtert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m1/s1
InChIKeyRUHNEKGDTOVEAH-MRVPVSSYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 87835041) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID87835041
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCCN(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m1/s1
InChIKeyRUHNEKGDTOVEAH-MRVPVSSYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 87835041) is tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is CCN(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is RUHNEKGDTOVEAH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-13(6)9(14)8(2)12-10(15)16-11(3,4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 87835041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).