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

C15H27NO3 — CID 63685554

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(C)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-19-14(15(17)18)6-7-16(2)10-13-9-11-4-5-12(13)8-11/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeySGZIDXIJQNXIAU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.23
Rot. Bonds8

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

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid (PubChem CID 63685554) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
PubChem CID63685554
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(C)CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-19-14(15(17)18)6-7-16(2)10-13-9-11-4-5-12(13)8-11/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeySGZIDXIJQNXIAU-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyhexan-2-one
CID 116707982
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
CID 55233822

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid (CID 63685554) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(C)CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid?
The InChIKey is SGZIDXIJQNXIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-19-14(15(17)18)6-7-16(2)10-13-9-11-4-5-12(13)8-11/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 63685554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).