tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate

C13H28N2O3 — CID 143200496

IUPACtert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)C(CN)COC
InChIInChI=1S/C13H28N2O3/c1-7-10(2)15(11(8-14)9-17-6)12(16)18-13(3,4)5/h10-11H,7-9,14H2,1-6H3
InChIKeyLYFZJTCAJKOLDF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.00
Rot. Bonds6

About tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate

tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate (PubChem CID 143200496) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate
PubChem CID143200496
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)C(CN)COC
InChIInChI=1S/C13H28N2O3/c1-7-10(2)15(11(8-14)9-17-6)12(16)18-13(3,4)5/h10-11H,7-9,14H2,1-6H3
InChIKeyLYFZJTCAJKOLDF-UHFFFAOYSA-N
XLogP2.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
propyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 139916687
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dimethylbutanoate
CID 101053581
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
CID 169096210
methyl (2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoate
CID 101154678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate (CID 143200496) is tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate is CCC(C)N(C(=O)OC(C)(C)C)C(CN)COC.
What is the InChIKey of tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate?
The InChIKey is LYFZJTCAJKOLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-7-10(2)15(11(8-14)9-17-6)12(16)18-13(3,4)5/h10-11H,7-9,14H2,1-6H3.
What are the key properties of tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate?
tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate has a molecular weight of 260.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate is sourced from PubChem (CID 143200496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).