methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate

C10H17NO2 — CID 61309137

IUPACmethyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
SMILESCOC(=O)CNC1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c1-13-10(12)6-11-9-5-7-2-3-8(9)4-7/h7-9,11H,2-6H2,1H3
InChIKeyABYKVXMXPFYTGZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate

methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate (PubChem CID 61309137) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
PubChem CID61309137
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
SMILESCOC(=O)CNC1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c1-13-10(12)6-11-9-5-7-2-3-8(9)4-7/h7-9,11H,2-6H2,1H3
InChIKeyABYKVXMXPFYTGZ-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
CID 98119461
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729
4-(2-bicyclo[2.2.1]heptanylamino)-3-methylbut-2-enoic acid
CID 103254707
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate (CID 61309137) is methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate is COC(=O)CNC1CC2CCC1C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate?
The InChIKey is ABYKVXMXPFYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)6-11-9-5-7-2-3-8(9)4-7/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate?
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate has a molecular weight of 183.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate is sourced from PubChem (CID 61309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).