1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid

C15H27N3O2 — CID 81199939

IUPAC1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCCC2CN(C3CCC(N)(C(=O)O)C3)CCC21
InChIInChI=1S/C15H27N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)12-4-6-15(16,9-12)14(19)20/h11-13H,2-10,16H2,1H3,(H,19,20)
InChIKeyKOQOXEOMUAYGIW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.74
Rot. Bonds2

About 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid

1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 81199939) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
PubChem CID81199939
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCCC2CN(C3CCC(N)(C(=O)O)C3)CCC21
InChIInChI=1S/C15H27N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)12-4-6-15(16,9-12)14(19)20/h11-13H,2-10,16H2,1H3,(H,19,20)
InChIKeyKOQOXEOMUAYGIW-UHFFFAOYSA-N
XLogP0.74
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
CID 81205829
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114539250
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclobutan-1-amine
CID 81205762
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
CID 81198941
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid (CID 81199939) is 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid is CN1CCCC2CN(C3CCC(N)(C(=O)O)C3)CCC21.
What is the InChIKey of 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KOQOXEOMUAYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17-7-2-3-11-10-18(8-5-13(11)17)12-4-6-15(16,9-12)14(19)20/h11-13H,2-10,16H2,1H3,(H,19,20).
What are the key properties of 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81199939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).