methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate

C19H24N2O3 — CID 95981734

IUPACmethyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
SMILESCOC(=O)C(CNC(=O)Cc1cccc2cccnc12)CC(C)C
InChIInChI=1S/C19H24N2O3/c1-13(2)10-16(19(23)24-3)12-21-17(22)11-15-7-4-6-14-8-5-9-20-18(14)15/h4-9,13,16H,10-12H2,1-3H3,(H,21,22)
InChIKeyWFSMGFMGMLNVPH-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.73
Rot. Bonds7

About methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate

methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate (PubChem CID 95981734) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
PubChem CID95981734
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
SMILESCOC(=O)C(CNC(=O)Cc1cccc2cccnc12)CC(C)C
InChIInChI=1S/C19H24N2O3/c1-13(2)10-16(19(23)24-3)12-21-17(22)11-15-7-4-6-14-8-5-9-20-18(14)15/h4-9,13,16H,10-12H2,1-3H3,(H,21,22)
InChIKeyWFSMGFMGMLNVPH-UHFFFAOYSA-N
XLogP2.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-[(2-quinolin-8-ylacetyl)amino]propanoic acid
CID 120524947
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide
CID 86824127
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
CID 75380269
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate (CID 95981734) is methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate is COC(=O)C(CNC(=O)Cc1cccc2cccnc12)CC(C)C.
What is the InChIKey of methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate?
The InChIKey is WFSMGFMGMLNVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)10-16(19(23)24-3)12-21-17(22)11-15-7-4-6-14-8-5-9-20-18(14)15/h4-9,13,16H,10-12H2,1-3H3,(H,21,22).
What are the key properties of methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate?
methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate has a molecular weight of 328.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate is sourced from PubChem (CID 95981734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).