2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid

C15H18N2O4 — CID 117099724

IUPAC2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccc2c(ccc(=O)n2CCCO)c1
InChIInChI=1S/C15H18N2O4/c1-16(10-15(20)21)12-4-5-13-11(9-12)3-6-14(19)17(13)7-2-8-18/h3-6,9,18H,2,7-8,10H2,1H3,(H,20,21)
InChIKeyDMJLKXFBQNRZFV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.90
Rot. Bonds6

About 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid

2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid (PubChem CID 117099724) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
PubChem CID117099724
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ccc2c(ccc(=O)n2CCCO)c1
InChIInChI=1S/C15H18N2O4/c1-16(10-15(20)21)12-4-5-13-11(9-12)3-6-14(19)17(13)7-2-8-18/h3-6,9,18H,2,7-8,10H2,1H3,(H,20,21)
InChIKeyDMJLKXFBQNRZFV-UHFFFAOYSA-N
XLogP0.90
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethyl-2-oxoquinolin-6-yl)-methylamino]propanoic acid
CID 117099687
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
CID 118936660
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
CID 117099745
1-butyl-6-hydroxyquinolin-2-one
CID 140970641
2-[(2-butyl-1-oxoisoquinolin-6-yl)-methylamino]acetic acid
CID 117099839
2-[(3-formyl-1-methylindol-5-yl)-methylamino]acetic acid
CID 83972249
3-[6-[carboxymethyl(methyl)amino]-1-oxoisoquinolin-2-yl]propanoic acid
CID 117099846
1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid
CID 82213109
3-[[1-(cyanomethyl)-2-oxoquinolin-6-yl]-ethylamino]propanoic acid
CID 117099700
3-[5-[carboxymethyl(methyl)amino]benzotriazol-1-yl]propanoic acid
CID 117099552

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid (CID 117099724) is 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid is CN(CC(=O)O)c1ccc2c(ccc(=O)n2CCCO)c1.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid?
The InChIKey is DMJLKXFBQNRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(10-15(20)21)12-4-5-13-11(9-12)3-6-14(19)17(13)7-2-8-18/h3-6,9,18H,2,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid?
2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid is sourced from PubChem (CID 117099724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).