methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate

C15H28N2O2 — CID 63682513

IUPACmethyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)(N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-15(16,14(18)19-3)6-7-17(2)10-13-9-11-4-5-12(13)8-11/h11-13H,4-10,16H2,1-3H3
InChIKeyJNUGJIHGEUYBNB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds6

About methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate

methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate (PubChem CID 63682513) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
PubChem CID63682513
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)(N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-15(16,14(18)19-3)6-7-17(2)10-13-9-11-4-5-12(13)8-11/h11-13H,4-10,16H2,1-3H3
InChIKeyJNUGJIHGEUYBNB-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate with MolForge

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Related Compounds

methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63865741
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103029139
2-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropylpropanamide
CID 63927049
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 63683776
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710901
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate (CID 63682513) is methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate is COC(=O)C(C)(N)CCN(C)CC1CC2CCC1C2.
What is the InChIKey of methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate?
The InChIKey is JNUGJIHGEUYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(16,14(18)19-3)6-7-17(2)10-13-9-11-4-5-12(13)8-11/h11-13H,4-10,16H2,1-3H3.
What are the key properties of methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate?
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate has a molecular weight of 268.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate is sourced from PubChem (CID 63682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).