methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C15H30N2O3 — CID 58185390

IUPACmethyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N(C)C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2O3/c1-9(2)12(16-15(19)20-8)14(18)17(7)13(10(3)4)11(5)6/h9-13H,1-8H3,(H,16,19)/t12-/m0/s1
InChIKeyJVCUMRDMUPXRPJ-LBPRGKRZSA-N
MW286.42 g/mol
LogP2.51
Rot. Bonds6

About methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 58185390) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID58185390
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N(C)C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2O3/c1-9(2)12(16-15(19)20-8)14(18)17(7)13(10(3)4)11(5)6/h9-13H,1-8H3,(H,16,19)/t12-/m0/s1
InChIKeyJVCUMRDMUPXRPJ-LBPRGKRZSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 58185390) is methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N(C)C(C(C)C)C(C)C)C(C)C.
What is the InChIKey of methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is JVCUMRDMUPXRPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-9(2)12(16-15(19)20-8)14(18)17(7)13(10(3)4)11(5)6/h9-13H,1-8H3,(H,16,19)/t12-/m0/s1.
What are the key properties of methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[2,4-dimethylpentan-3-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58185390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).