(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide

C13H15N3O — CID 79237707

IUPAC(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc([C@@H](N)CC(N)=O)c2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-8-6-10(11(14)7-13(15)17)9-4-2-3-5-12(9)16-8/h2-6,11H,7,14H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyJPCRMIRMLAQTIV-NSHDSACASA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds3

About (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide

(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide (PubChem CID 79237707) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
PubChem CID79237707
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc([C@@H](N)CC(N)=O)c2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-8-6-10(11(14)7-13(15)17)9-4-2-3-5-12(9)16-8/h2-6,11H,7,14H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyJPCRMIRMLAQTIV-NSHDSACASA-N
XLogP1.42
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087104
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methylquinolin-4-amine
CID 162035180

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide (CID 79237707) is (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide is Cc1cc([C@@H](N)CC(N)=O)c2ccccc2n1.
What is the InChIKey of (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide?
The InChIKey is JPCRMIRMLAQTIV-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-6-10(11(14)7-13(15)17)9-4-2-3-5-12(9)16-8/h2-6,11H,7,14H2,1H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide?
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 79237707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).