tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C16H25N3O2 — CID 97135982

IUPACtert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESC[C@@H](CN)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H25N3O2/c1-11(10-17)13-8-7-12-6-5-9-19(14(12)18-13)15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,17H2,1-4H3/t11-/m0/s1
InChIKeyKIMOBFPUGIGVLQ-NSHDSACASA-N
MW291.40 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 97135982) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID97135982
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESC[C@@H](CN)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H25N3O2/c1-11(10-17)13-8-7-12-6-5-9-19(14(12)18-13)15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,17H2,1-4H3/t11-/m0/s1
InChIKeyKIMOBFPUGIGVLQ-NSHDSACASA-N
XLogP2.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142348393
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
tert-butyl 7-[4-[[2-(dimethylamino)-2-hydroxyethyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 175209042
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
tert-butyl 6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117470874
tert-butyl 7-[2-[(3-amino-2-formylprop-2-enylidene)amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 159122698

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 97135982) is tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is C[C@@H](CN)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is KIMOBFPUGIGVLQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(10-17)13-8-7-12-6-5-9-19(14(12)18-13)15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,17H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 97135982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).