4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid

C15H27N3O3 — CID 81199689

IUPAC4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H27N3O3/c1-11(5-6-14(19)20)16-15(21)18-9-7-13-12(10-18)4-3-8-17(13)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyHFNMOJBPNAWMSP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid

4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid (PubChem CID 81199689) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid
PubChem CID81199689
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H27N3O3/c1-11(5-6-14(19)20)16-15(21)18-9-7-13-12(10-18)4-3-8-17(13)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyHFNMOJBPNAWMSP-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid
CID 113335954
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoic acid
CID 81196833
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one
CID 81199953
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butane-1,3-dione
CID 81200263
2-(cyclopropylmethylamino)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81200466
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
CID 82689255
3-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-sulfanylbutan-1-one
CID 107033002
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
CID 120873110
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
CID 112700457
6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199611

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid (CID 81199689) is 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid?
The InChIKey is HFNMOJBPNAWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(5-6-14(19)20)16-15(21)18-9-7-13-12(10-18)4-3-8-17(13)2/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid?
4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81199689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).