2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid

C19H25N3O3 — CID 164639926

IUPAC2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCc1cc(CN2CCO[C@@H](CN(C)CC(=O)O)C2)cc2cccnc12
InChIInChI=1S/C19H25N3O3/c1-14-8-15(9-16-4-3-5-20-19(14)16)10-22-6-7-25-17(12-22)11-21(2)13-18(23)24/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyAXSCFHVDELFSJZ-KRWDZBQOSA-N
MW343.43 g/mol
LogP1.76
Rot. Bonds6

About 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 164639926) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID164639926
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCc1cc(CN2CCO[C@@H](CN(C)CC(=O)O)C2)cc2cccnc12
InChIInChI=1S/C19H25N3O3/c1-14-8-15(9-16-4-3-5-20-19(14)16)10-22-6-7-25-17(12-22)11-21(2)13-18(23)24/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyAXSCFHVDELFSJZ-KRWDZBQOSA-N
XLogP1.76
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606707
2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601
N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
CID 166228442
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043660
1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95349360

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid (CID 164639926) is 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid is Cc1cc(CN2CCO[C@@H](CN(C)CC(=O)O)C2)cc2cccnc12.
What is the InChIKey of 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is AXSCFHVDELFSJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-8-15(9-16-4-3-5-20-19(14)16)10-22-6-7-25-17(12-22)11-21(2)13-18(23)24/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 343.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 164639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).