methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate

C10H15NO3 — CID 14331165

IUPACmethyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(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)/t5-,6+,7-,8+/m0/s1
InChIKeySRIJUNQKGGMCTG-FKSUSPILSA-N
MW197.23 g/mol
LogP0.31
Rot. Bonds2

About methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate

methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 14331165) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID14331165
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(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)/t5-,6+,7-,8+/m0/s1
InChIKeySRIJUNQKGGMCTG-FKSUSPILSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate (CID 14331165) is methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate is COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(N)=O.
What is the InChIKey of methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is SRIJUNQKGGMCTG-FKSUSPILSA-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)/t5-,6+,7-,8+/m0/s1.
What are the key properties of methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate?
methyl (1R,2R,3S,4S)-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 (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 14331165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).