2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid

C14H20N2O3 — CID 79182777

IUPAC2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
SMILESCN1CCOC(CN(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O3/c1-15-7-8-19-13(9-15)10-16(11-14(17)18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18)
InChIKeyVZICYCRQSYREOS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.91
Rot. Bonds5

About 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid

2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid (PubChem CID 79182777) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
PubChem CID79182777
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
SMILESCN1CCOC(CN(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O3/c1-15-7-8-19-13(9-15)10-16(11-14(17)18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18)
InChIKeyVZICYCRQSYREOS-UHFFFAOYSA-N
XLogP0.91
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
CID 110741577
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[N-(cyclohexylmethyl)anilino]acetic acid
CID 60839263
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid (CID 79182777) is 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid is CN1CCOC(CN(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid?
The InChIKey is VZICYCRQSYREOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-7-8-19-13(9-15)10-16(11-14(17)18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid?
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid is sourced from PubChem (CID 79182777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).