tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate

C12H24N2O4 — CID 143475336

IUPACtert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCC(N)CC=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(17)14-8-10(16)5-4-9(13)6-7-15/h7,9-10,16H,4-6,8,13H2,1-3H3,(H,14,17)
InChIKeyAPSNXCSGFKUOFR-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.57
Rot. Bonds7

About tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate

tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate (PubChem CID 143475336) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate
PubChem CID143475336
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCC(N)CC=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)18-11(17)14-8-10(16)5-4-9(13)6-7-15/h7,9-10,16H,4-6,8,13H2,1-3H3,(H,14,17)
InChIKeyAPSNXCSGFKUOFR-UHFFFAOYSA-N
XLogP0.57
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421
tert-butyl N-[2-(difluoromethyl)-4-oxobutyl]carbamate
CID 105498799
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
CID 142468263
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate (CID 143475336) is tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate is CC(C)(C)OC(=O)NCC(O)CCC(N)CC=O.
What is the InChIKey of tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate?
The InChIKey is APSNXCSGFKUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)18-11(17)14-8-10(16)5-4-9(13)6-7-15/h7,9-10,16H,4-6,8,13H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate?
tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate has a molecular weight of 260.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate is sourced from PubChem (CID 143475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).