(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide

C16H21N3O — CID 81427163

IUPAC(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-11(2)14(17)16(20)19-10-8-13-6-3-5-12-7-4-9-18-15(12)13/h3-7,9,11,14H,8,10,17H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyFJHLVSQLVBMFQP-AWEZNQCLSA-N
MW271.36 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide

(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide (PubChem CID 81427163) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
PubChem CID81427163
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-11(2)14(17)16(20)19-10-8-13-6-3-5-12-7-4-9-18-15(12)13/h3-7,9,11,14H,8,10,17H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyFJHLVSQLVBMFQP-AWEZNQCLSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide (CID 81427163) is (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide is CC(C)[C@H](N)C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The InChIKey is FJHLVSQLVBMFQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)14(17)16(20)19-10-8-13-6-3-5-12-7-4-9-18-15(12)13/h3-7,9,11,14H,8,10,17H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide is sourced from PubChem (CID 81427163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).