2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid

C16H20N2O2 — CID 65063950

IUPAC2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)9-18(11-16(19)20)10-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeyOPSIVPAQBHVCMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds6

About 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid

2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid (PubChem CID 65063950) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
PubChem CID65063950
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(2)9-18(11-16(19)20)10-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeyOPSIVPAQBHVCMB-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[prop-2-ynyl(quinolin-4-ylmethyl)amino]acetic acid
CID 79284539
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064878
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 68575205
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243
2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 79982333
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid (CID 65063950) is 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid is CC(C)CN(CC(=O)O)Cc1ccnc2ccccc12.
What is the InChIKey of 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid?
The InChIKey is OPSIVPAQBHVCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)9-18(11-16(19)20)10-13-7-8-17-15-6-4-3-5-14(13)15/h3-8,12H,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid?
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 65063950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).