2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid

C17H22N2O2 — CID 106488509

IUPAC2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
SMILESCc1cc(CC(CN)(C(=O)O)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(10-18,16(20)21)9-13-8-12(3)19-15-7-5-4-6-14(13)15/h4-8,11H,9-10,18H2,1-3H3,(H,20,21)
InChIKeyUDPBLHJIWZRFST-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid

2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid (PubChem CID 106488509) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
PubChem CID106488509
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
SMILESCc1cc(CC(CN)(C(=O)O)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-11(2)17(10-18,16(20)21)9-13-8-12(3)19-15-7-5-4-6-14(13)15/h4-8,11H,9-10,18H2,1-3H3,(H,20,21)
InChIKeyUDPBLHJIWZRFST-UHFFFAOYSA-N
XLogP2.77
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
CID 79425470
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
methyl 2-methyl-3-[(2-methylquinolin-4-yl)methylsulfanyl]propanoate
CID 78992949
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid (CID 106488509) is 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid is Cc1cc(CC(CN)(C(=O)O)C(C)C)c2ccccc2n1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid?
The InChIKey is UDPBLHJIWZRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)17(10-18,16(20)21)9-13-8-12(3)19-15-7-5-4-6-14(13)15/h4-8,11H,9-10,18H2,1-3H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid?
2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid has a molecular weight of 286.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid is sourced from PubChem (CID 106488509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).