methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate

C12H17NO3 — CID 23375115

IUPACmethyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate
SMILESCOC(=O)NC12C[C@H]3CC(C[C@@H](C3)C1)C2=O
InChIInChI=1S/C12H17NO3/c1-16-11(15)13-12-5-7-2-8(6-12)4-9(3-7)10(12)14/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?,12?/m1/s1
InChIKeyZGCWSWGOFPGKHH-JRSICPIFSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds1

About methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate

methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate (PubChem CID 23375115) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate
PubChem CID23375115
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate
SMILESCOC(=O)NC12C[C@H]3CC(C[C@@H](C3)C1)C2=O
InChIInChI=1S/C12H17NO3/c1-16-11(15)13-12-5-7-2-8(6-12)4-9(3-7)10(12)14/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?,12?/m1/s1
InChIKeyZGCWSWGOFPGKHH-JRSICPIFSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxoadamantane-1-carboxylate
CID 73131505
(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792
(2-oxo-1-adamantyl) hydrogen carbonate
CID 141301867
2-(2-oxo-1-adamantyl)acetic acid
CID 5021744
N-(1-adamantyl)-2-methoxy-2-methylpropanamide
CID 12839089
tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate
CID 123257279
ethane-1,2-diol;1-hydroxyadamantan-2-one
CID 67841434
1-aminoadamantan-2-one;hydrochloride
CID 12563251
2-oxoadamantane-1-carbonitrile
CID 18942877
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
1-adamantyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123227831

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate?
The IUPAC name of methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate (CID 23375115) is methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate.
What is the SMILES notation for methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate?
The canonical SMILES for methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate is COC(=O)NC12C[C@H]3CC(C[C@@H](C3)C1)C2=O.
What is the InChIKey of methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate?
The InChIKey is ZGCWSWGOFPGKHH-JRSICPIFSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-11(15)13-12-5-7-2-8(6-12)4-9(3-7)10(12)14/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?,12?/m1/s1.
What are the key properties of methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate?
methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate is sourced from PubChem (CID 23375115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).