2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid

C17H20N2O4 — CID 95716426

IUPAC2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
SMILESCn1c(=O)c(CN2CCOC[C@@H]2CC(=O)O)cc2ccccc21
InChIInChI=1S/C17H20N2O4/c1-18-15-5-3-2-4-12(15)8-13(17(18)22)10-19-6-7-23-11-14(19)9-16(20)21/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyPITGYSJDIWLHQS-AWEZNQCLSA-N
MW316.36 g/mol
LogP1.21
Rot. Bonds4

About 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid

2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 95716426) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID95716426
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
SMILESCn1c(=O)c(CN2CCOC[C@@H]2CC(=O)O)cc2ccccc21
InChIInChI=1S/C17H20N2O4/c1-18-15-5-3-2-4-12(15)8-13(17(18)22)10-19-6-7-23-11-14(19)9-16(20)21/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyPITGYSJDIWLHQS-AWEZNQCLSA-N
XLogP1.21
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,7aR)-2-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137337034
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95729743
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[4-[(4-bromo-2-chlorophenyl)methyl]morpholin-3-yl]acetic acid
CID 113471103
2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
CID 83084462
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
1-methyl-3-[[(2R)-2-methyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]quinolin-2-one
CID 96576866
1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
CID 155961607
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
CID 56904309

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid (CID 95716426) is 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid is Cn1c(=O)c(CN2CCOC[C@@H]2CC(=O)O)cc2ccccc21.
What is the InChIKey of 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is PITGYSJDIWLHQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-18-15-5-3-2-4-12(15)8-13(17(18)22)10-19-6-7-23-11-14(19)9-16(20)21/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid?
2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).