tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate

C17H32N2O4 — CID 57126060

IUPACtert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H32N2O4/c1-7-8-9-13(19-16(22)23-17(4,5)6)15(21)14(20)12(18)10-11(2)3/h11-13H,7-10,18H2,1-6H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyJEAINYPSFLLXHT-STQMWFEESA-N
MW328.45 g/mol
LogP2.58
Rot. Bonds9

About tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate

tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate (PubChem CID 57126060) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate
PubChem CID57126060
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H32N2O4/c1-7-8-9-13(19-16(22)23-17(4,5)6)15(21)14(20)12(18)10-11(2)3/h11-13H,7-10,18H2,1-6H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyJEAINYPSFLLXHT-STQMWFEESA-N
XLogP2.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
tert-butyl N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 135363955
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170262393
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
CID 162512524
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
tert-butyl N-decan-5-ylcarbamate
CID 174754300
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate (CID 57126060) is tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate is CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate?
The InChIKey is JEAINYPSFLLXHT-STQMWFEESA-N. The full InChI is InChI=1S/C17H32N2O4/c1-7-8-9-13(19-16(22)23-17(4,5)6)15(21)14(20)12(18)10-11(2)3/h11-13H,7-10,18H2,1-6H3,(H,19,22)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate?
tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]carbamate is sourced from PubChem (CID 57126060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).