tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate

C22H35N3O3 — CID 146417264

IUPACtert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate
SMILESCc1ccnc2c1CC[C@@H](CCCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N2
InChIInChI=1S/C22H35N3O3/c1-16-10-12-23-20-19(16)9-8-17(24-20)7-5-6-14-27-18-11-13-25(15-18)21(26)28-22(2,3)4/h10,12,17-18H,5-9,11,13-15H2,1-4H3,(H,23,24)/t17-,18-/m1/s1
InChIKeyHOJLAHYXENSCSN-QZTJIDSGSA-N
MW389.54 g/mol
LogP4.31
Rot. Bonds6

About tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate (PubChem CID 146417264) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate
PubChem CID146417264
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Nametert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate
SMILESCc1ccnc2c1CC[C@@H](CCCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N2
InChIInChI=1S/C22H35N3O3/c1-16-10-12-23-20-19(16)9-8-17(24-20)7-5-6-14-27-18-11-13-25(15-18)21(26)28-22(2,3)4/h10,12,17-18H,5-9,11,13-15H2,1-4H3,(H,23,24)/t17-,18-/m1/s1
InChIKeyHOJLAHYXENSCSN-QZTJIDSGSA-N
XLogP4.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate 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

tert-butyl (3R)-3-[4-(1-sulfanyl-3,4-dihydro-2H-1,8-naphthyridin-2-yl)butoxy]pyrrolidine-1-carboxylate
CID 146427973
tert-butyl (3R)-3-(5-oxopentoxy)pyrrolidine-1-carboxylate
CID 146427934
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 3-[(E)-7-methoxy-5-methylidene-7-(2-methyl-3-pyridinyl)hept-6-enoxy]pyrrolidine-1-carboxylate
CID 146433719
tert-butyl (3R)-3-[4-(4-chloro-1,5-naphthyridin-2-yl)butoxy]pyrrolidine-1-carboxylate
CID 175125856
tert-butyl 3-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolidine-1-carboxylate
CID 123921751
tert-butyl (3R)-3-[4-[1-[(R)-tert-butylsulfinyl]-3,4-dihydro-2H-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate;7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;trihydrochloride
CID 161092734
tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
CID 71629755
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
tert-butyl (3S)-3-(2-cyanoethoxy)pyrrolidine-1-carboxylate
CID 86630776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate (CID 146417264) is tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate is Cc1ccnc2c1CC[C@@H](CCCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N2.
What is the InChIKey of tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate?
The InChIKey is HOJLAHYXENSCSN-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16-10-12-23-20-19(16)9-8-17(24-20)7-5-6-14-27-18-11-13-25(15-18)21(26)28-22(2,3)4/h10,12,17-18H,5-9,11,13-15H2,1-4H3,(H,23,24)/t17-,18-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate has a molecular weight of 389.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[4-[(2R)-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146417264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).