methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate

C12H19NO3 — CID 43409497

IUPACmethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H19NO3/c1-13(7-11(14)16-2)12(15)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3
InChIKeyOQOLOTCFPCUBOY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate

methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate (PubChem CID 43409497) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
PubChem CID43409497
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H19NO3/c1-13(7-11(14)16-2)12(15)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3
InChIKeyOQOLOTCFPCUBOY-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
N-(5-chloropentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107205733
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206135
N-methyl-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106607658
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550402
methyl 5-[[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 98706938
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
(1S,6R)-6-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93379056

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate (CID 43409497) is methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)C1CC2CCC1C2.
What is the InChIKey of methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate?
The InChIKey is OQOLOTCFPCUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(7-11(14)16-2)12(15)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate?
methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate has a molecular weight of 225.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 43409497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).