2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid

C15H16N2O4 — CID 79234105

IUPAC2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)CC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O4/c1-10-6-11(12-4-2-3-5-13(12)16-10)7-17(8-14(18)19)9-15(20)21/h2-6H,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJHTDKEZHBWJDPL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.51
Rot. Bonds6

About 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid

2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid (PubChem CID 79234105) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
PubChem CID79234105
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)CC(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O4/c1-10-6-11(12-4-2-3-5-13(12)16-10)7-17(8-14(18)19)9-15(20)21/h2-6H,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJHTDKEZHBWJDPL-UHFFFAOYSA-N
XLogP1.51
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 79235391

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid (CID 79234105) is 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid is Cc1cc(CN(CC(=O)O)CC(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The InChIKey is JHTDKEZHBWJDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-6-11(12-4-2-3-5-13(12)16-10)7-17(8-14(18)19)9-15(20)21/h2-6H,7-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79234105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).