tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid

C11H20N2O3 — CID 97170175

IUPACtert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)13(10(15)16)8-5-4-6-9(14)12-7-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m1/s1
InChIKeyUPOPSMLVDGQCOA-MRVPVSSYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid

tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid (PubChem CID 97170175) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid
PubChem CID97170175
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC(=O)NC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)13(10(15)16)8-5-4-6-9(14)12-7-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m1/s1
InChIKeyUPOPSMLVDGQCOA-MRVPVSSYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(1R)-3-oxocyclohexyl]carbamic acid
CID 97170156
tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
CID 66990913
[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
CID 118874609
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
CID 118874617
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
tert-butyl-[(1R,3R)-3-cyanocyclohexyl]carbamic acid
CID 67278135
tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
CID 66868621
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
CID 130431191
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
N-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728719
2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
CID 176884984

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid (CID 97170175) is tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCCC(=O)NC1.
What is the InChIKey of tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid?
The InChIKey is UPOPSMLVDGQCOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)13(10(15)16)8-5-4-6-9(14)12-7-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m1/s1.
What are the key properties of tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid?
tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid is sourced from PubChem (CID 97170175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).