ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate

C16H28N2O2 — CID 124721470

IUPACethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate
SMILESCCOC(=O)CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)8-11-17-10-7-15-13(12-17)4-3-9-18(15)14-5-6-14/h13-15H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyADKWJLPWNCWVKV-ZFWWWQNUSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds5

About ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate

ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate (PubChem CID 124721470) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate
PubChem CID124721470
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate
SMILESCCOC(=O)CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)8-11-17-10-7-15-13(12-17)4-3-9-18(15)14-5-6-14/h13-15H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyADKWJLPWNCWVKV-ZFWWWQNUSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoate
CID 81196697
N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
CID 97238808
ethyl 3-hydroxy-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoate
CID 82770662
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
(4aS,8aS)-6-(2-bromoprop-2-enyl)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 124778520
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
ethyl 5-[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]pentanoate
CID 98354701
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
ethyl 2-amino-2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199412

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate?
The IUPAC name of ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate (CID 124721470) is ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate.
What is the SMILES notation for ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate?
The canonical SMILES for ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate is CCOC(=O)CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1.
What is the InChIKey of ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate?
The InChIKey is ADKWJLPWNCWVKV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-16(19)8-11-17-10-7-15-13(12-17)4-3-9-18(15)14-5-6-14/h13-15H,2-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate?
ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate has a molecular weight of 280.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate is sourced from PubChem (CID 124721470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).