methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate

C13H23NO2 — CID 63684175

IUPACmethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO2/c1-14(6-5-13(15)16-2)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3
InChIKeyUGMZBNGWDYCYAM-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate

methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate (PubChem CID 63684175) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
PubChem CID63684175
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO2/c1-14(6-5-13(15)16-2)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3
InChIKeyUGMZBNGWDYCYAM-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959054
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 63683013
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 63682050
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
CID 79564028

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate (CID 63684175) is methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate is COC(=O)CCN(C)CC1CC2CCC1C2.
What is the InChIKey of methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The InChIKey is UGMZBNGWDYCYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(6-5-13(15)16-2)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate has a molecular weight of 225.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 63684175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).