3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid

C15H18N2O2 — CID 43468279

IUPAC3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
SMILESCC(C)C(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-10(2)13(15(18)19)17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,10,13,17H,9H2,1-2H3,(H,18,19)
InChIKeyYQNKJTFTLSDUEH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds5

About 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid

3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid (PubChem CID 43468279) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
PubChem CID43468279
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
SMILESCC(C)C(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-10(2)13(15(18)19)17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,10,13,17H,9H2,1-2H3,(H,18,19)
InChIKeyYQNKJTFTLSDUEH-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
(2S,3S)-2-[(6-chloroquinolin-8-yl)methylamino]-3-methylpentanoic acid
CID 120510435
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid (CID 43468279) is 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid is CC(C)C(NCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid?
The InChIKey is YQNKJTFTLSDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)13(15(18)19)17-9-12-6-3-5-11-7-4-8-16-14(11)12/h3-8,10,13,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid?
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid is sourced from PubChem (CID 43468279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).