2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid

C14H16N2O2 — CID 105379644

IUPAC2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid
SMILESCc1ccc2cc(CN(C)CC(=O)O)ccc2n1
InChIInChI=1S/C14H16N2O2/c1-10-3-5-12-7-11(4-6-13(12)15-10)8-16(2)9-14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyCKDSRWQIQGMSAS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.06
Rot. Bonds4

About 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid

2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid (PubChem CID 105379644) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid
PubChem CID105379644
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid
SMILESCc1ccc2cc(CN(C)CC(=O)O)ccc2n1
InChIInChI=1S/C14H16N2O2/c1-10-3-5-12-7-11(4-6-13(12)15-10)8-16(2)9-14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyCKDSRWQIQGMSAS-UHFFFAOYSA-N
XLogP2.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinolin-6-yl)methyl trifluoromethanesulfonate
CID 102621556
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280
2-[cyclopropylmethyl-[3-[(2-methylquinolin-6-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041663
4-[[carboxymethyl(methyl)amino]methyl]phthalic acid
CID 122189594
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
(2-methylquinolin-6-yl)methanethiol
CID 105379811
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
CID 43442466

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid (CID 105379644) is 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid is Cc1ccc2cc(CN(C)CC(=O)O)ccc2n1.
What is the InChIKey of 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid?
The InChIKey is CKDSRWQIQGMSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-3-5-12-7-11(4-6-13(12)15-10)8-16(2)9-14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid?
2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid is sourced from PubChem (CID 105379644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).