methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate

C10H15NO3 — CID 14331163

IUPACmethyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1C2CCC(C2)C1C(N)=O
InChIInChI=1S/C10H15NO3/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H2,11,12)
InChIKeySRIJUNQKGGMCTG-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.31
Rot. Bonds2

About methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate

methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 14331163) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID14331163
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1C2CCC(C2)C1C(N)=O
InChIInChI=1S/C10H15NO3/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H2,11,12)
InChIKeySRIJUNQKGGMCTG-UHFFFAOYSA-N
XLogP0.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
CID 14331165
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
(1S,2S,3R,4R)-3-methoxycarbonylbicyclo[2.2.1]heptane-2-carboxylate
CID 11906386
methyl 3-iodobicyclo[2.2.1]heptane-2-carboxylate
CID 134934568
(1R,2S,3R,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 162394068
(1R,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 10910202
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
methyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate
CID 67974121
dimethyl (1R,6R,8S)-pentacyclo[6.4.1.13,6.02,7.09,12]tetradecane-10,11-dicarboxylate
CID 163320232
amino (2R,3R)-3-carbamoylbicyclo[2.2.2]octane-2-carboxylate
CID 41097782

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate (CID 14331163) is methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate is COC(=O)C1C2CCC(C2)C1C(N)=O.
What is the InChIKey of methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is SRIJUNQKGGMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H2,11,12).
What are the key properties of methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 14331163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).