tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate

C14H26N2O4 — CID 140914884

IUPACtert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)11(18)9(7-8-10(15)17)16-12(19)20-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,17)(H,16,19)/t9-/m0/s1
InChIKeyBTUYUOMAACVALF-VIFPVBQESA-N
MW286.37 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate

tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate (PubChem CID 140914884) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
PubChem CID140914884
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)11(18)9(7-8-10(15)17)16-12(19)20-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,17)(H,16,19)/t9-/m0/s1
InChIKeyBTUYUOMAACVALF-VIFPVBQESA-N
XLogP1.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate with MolForge

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Related Compounds

5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanethioic S-acid
CID 175192087
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
CID 90394148
tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
CID 176793158
tert-butyl N-(2,2,10,10-tetramethyl-3-oxoundecan-4-yl)carbamate
CID 158175189
(2,5-dioxopyrrolidin-1-yl) (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 98540767
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344
tert-butyl N-[(2S)-5-amino-1-(3-bromo-5-chloroanilino)-1,5-dioxopentan-2-yl]carbamate
CID 155189410
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112
ditert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 86647571
tert-butyl N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 11049014
(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate
CID 7010014

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate (CID 140914884) is tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate?
The InChIKey is BTUYUOMAACVALF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)11(18)9(7-8-10(15)17)16-12(19)20-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,17)(H,16,19)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate?
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate is sourced from PubChem (CID 140914884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).