tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate

C20H28N2O2 — CID 75380269

IUPACtert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
SMILESCC(C)C[C@@H](NCc1cccc2cccnc12)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14(2)12-17(19(23)24-20(3,4)5)22-13-16-9-6-8-15-10-7-11-21-18(15)16/h6-11,14,17,22H,12-13H2,1-5H3/t17-/m1/s1
InChIKeyHMHNQTKAHDLMEP-QGZVFWFLSA-N
MW328.46 g/mol
LogP4.08
Rot. Bonds6

About tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate

tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate (PubChem CID 75380269) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
PubChem CID75380269
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
SMILESCC(C)C[C@@H](NCc1cccc2cccnc12)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14(2)12-17(19(23)24-20(3,4)5)22-13-16-9-6-8-15-10-7-11-21-18(15)16/h6-11,14,17,22H,12-13H2,1-5H3/t17-/m1/s1
InChIKeyHMHNQTKAHDLMEP-QGZVFWFLSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
CID 103522381
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl (2S)-2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylpentanoate;hydrate
CID 70162283
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
CID 95981734
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate?
The IUPAC name of tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate (CID 75380269) is tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate.
What is the SMILES notation for tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate?
The canonical SMILES for tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate is CC(C)C[C@@H](NCc1cccc2cccnc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate?
The InChIKey is HMHNQTKAHDLMEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)12-17(19(23)24-20(3,4)5)22-13-16-9-6-8-15-10-7-11-21-18(15)16/h6-11,14,17,22H,12-13H2,1-5H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate?
tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate has a molecular weight of 328.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate is sourced from PubChem (CID 75380269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).