methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate

C17H34N2O4 — CID 107441353

IUPACmethyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
SMILESCOC(=O)C(NCC(CNC(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)13(10-19-16(21)23-17(5,6)7)9-18-14(12(3)4)15(20)22-8/h11-14,18H,9-10H2,1-8H3,(H,19,21)
InChIKeyYRNNKYUABUVPME-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.57
Rot. Bonds8

About methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate

methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate (PubChem CID 107441353) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
PubChem CID107441353
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Namemethyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
SMILESCOC(=O)C(NCC(CNC(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)13(10-19-16(21)23-17(5,6)7)9-18-14(12(3)4)15(20)22-8/h11-14,18H,9-10H2,1-8H3,(H,19,21)
InChIKeyYRNNKYUABUVPME-UHFFFAOYSA-N
XLogP2.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate with MolForge

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Related Compounds

tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[3-methyl-2-[(1-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442788
tert-butyl N-[3-methyl-2-[(4-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442740
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[3-methyl-2-[(3-methylsulfanylpropylamino)methyl]butyl]carbamate
CID 107442261
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate (CID 107441353) is methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate is COC(=O)C(NCC(CNC(=O)OC(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate?
The InChIKey is YRNNKYUABUVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-11(2)13(10-19-16(21)23-17(5,6)7)9-18-14(12(3)4)15(20)22-8/h11-14,18H,9-10H2,1-8H3,(H,19,21).
What are the key properties of methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate?
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate has a molecular weight of 330.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate is sourced from PubChem (CID 107441353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).