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

C17H32N2O2 — CID 63683037

IUPACmethyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC1CC2CCC1C2)C(=O)OC
InChIInChI=1S/C17H32N2O2/c1-4-8-18-16(17(20)21-3)7-9-19(2)12-15-11-13-5-6-14(15)10-13/h13-16,18H,4-12H2,1-3H3
InChIKeyWROJMECOCRCJAG-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.29
Rot. Bonds9

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

methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate (PubChem CID 63683037) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
PubChem CID63683037
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC1CC2CCC1C2)C(=O)OC
InChIInChI=1S/C17H32N2O2/c1-4-8-18-16(17(20)21-3)7-9-19(2)12-15-11-13-5-6-14(15)10-13/h13-16,18H,4-12H2,1-3H3
InChIKeyWROJMECOCRCJAG-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate (CID 63683037) is methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)CC1CC2CCC1C2)C(=O)OC.
What is the InChIKey of methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate?
The InChIKey is WROJMECOCRCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-8-18-16(17(20)21-3)7-9-19(2)12-15-11-13-5-6-14(15)10-13/h13-16,18H,4-12H2,1-3H3.
What are the key properties of methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate?
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate has a molecular weight of 296.45 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63683037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).