tert-butyl N-(1-hydroxyazepan-3-yl)carbamate

C11H22N2O3 — CID 70285505

IUPACtert-butyl N-(1-hydroxyazepan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCN(O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-9-6-4-5-7-13(15)8-9/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyNFZYVRWMBYBMNW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds1

About tert-butyl N-(1-hydroxyazepan-3-yl)carbamate

tert-butyl N-(1-hydroxyazepan-3-yl)carbamate (PubChem CID 70285505) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxyazepan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxyazepan-3-yl)carbamate
PubChem CID70285505
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-(1-hydroxyazepan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCN(O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-9-6-4-5-7-13(15)8-9/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyNFZYVRWMBYBMNW-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
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tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
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tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
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tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxyazepan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxyazepan-3-yl)carbamate (CID 70285505) is tert-butyl N-(1-hydroxyazepan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxyazepan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxyazepan-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCCN(O)C1.
What is the InChIKey of tert-butyl N-(1-hydroxyazepan-3-yl)carbamate?
The InChIKey is NFZYVRWMBYBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-9-6-4-5-7-13(15)8-9/h9,15H,4-8H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(1-hydroxyazepan-3-yl)carbamate?
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxyazepan-3-yl)carbamate is sourced from PubChem (CID 70285505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).