2-morpholin-4-ylacetonitrile;propanoic acid

C9H16N2O3 — CID 173114217

IUPAC2-morpholin-4-ylacetonitrile;propanoic acid
SMILESCCC(=O)O.N#CCN1CCOCC1
InChIInChI=1S/C6H10N2O.C3H6O2/c7-1-2-8-3-5-9-6-4-8;1-2-3(4)5/h2-6H2;2H2,1H3,(H,4,5)
InChIKeyKJEDHDSFQIEWEE-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.32
Rot. Bonds2

About 2-morpholin-4-ylacetonitrile;propanoic acid

2-morpholin-4-ylacetonitrile;propanoic acid (PubChem CID 173114217) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-morpholin-4-ylacetonitrile;propanoic acid.

Molecular Properties

Compound Name2-morpholin-4-ylacetonitrile;propanoic acid
PubChem CID173114217
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-morpholin-4-ylacetonitrile;propanoic acid
SMILESCCC(=O)O.N#CCN1CCOCC1
InChIInChI=1S/C6H10N2O.C3H6O2/c7-1-2-8-3-5-9-6-4-8;1-2-3(4)5/h2-6H2;2H2,1H3,(H,4,5)
InChIKeyKJEDHDSFQIEWEE-UHFFFAOYSA-N
XLogP0.32
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylacetonitrile;propanoic 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-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 112723430
2-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetonitrile
CID 128987106
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
oxolane;propanoic acid
CID 162183532
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
2-(azonan-1-yl)acetonitrile
CID 127001300
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
propanoic acid;hydrate
CID 57432895
propan-2-yl 4-(cyanomethyl)piperazine-1-carboxylate
CID 63336764
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylacetonitrile;propanoic acid?
The IUPAC name of 2-morpholin-4-ylacetonitrile;propanoic acid (CID 173114217) is 2-morpholin-4-ylacetonitrile;propanoic acid.
What is the SMILES notation for 2-morpholin-4-ylacetonitrile;propanoic acid?
The canonical SMILES for 2-morpholin-4-ylacetonitrile;propanoic acid is CCC(=O)O.N#CCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylacetonitrile;propanoic acid?
The InChIKey is KJEDHDSFQIEWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C3H6O2/c7-1-2-8-3-5-9-6-4-8;1-2-3(4)5/h2-6H2;2H2,1H3,(H,4,5).
What are the key properties of 2-morpholin-4-ylacetonitrile;propanoic acid?
2-morpholin-4-ylacetonitrile;propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylacetonitrile;propanoic acid is sourced from PubChem (CID 173114217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).