2-[4-(cyanomethyl)morpholin-2-yl]acetic acid

C8H12N2O3 — CID 66435228

IUPAC2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
SMILESN#CCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C8H12N2O3/c9-1-2-10-3-4-13-7(6-10)5-8(11)12/h7H,2-6H2,(H,11,12)
InChIKeyNVZMLIYTQKPFSV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.31
Rot. Bonds3

About 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid

2-[4-(cyanomethyl)morpholin-2-yl]acetic acid (PubChem CID 66435228) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
PubChem CID66435228
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
SMILESN#CCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C8H12N2O3/c9-1-2-10-3-4-13-7(6-10)5-8(11)12/h7H,2-6H2,(H,11,12)
InChIKeyNVZMLIYTQKPFSV-UHFFFAOYSA-N
XLogP-0.31
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[4-(cyanomethyl)morpholin-2-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

2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-(2-propylmorpholin-4-yl)acetonitrile
CID 130694336
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
CID 114495022
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid (CID 66435228) is 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid is N#CCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid?
The InChIKey is NVZMLIYTQKPFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-1-2-10-3-4-13-7(6-10)5-8(11)12/h7H,2-6H2,(H,11,12).
What are the key properties of 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid?
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid has a molecular weight of 184.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).