2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid

C12H18N2O4 — CID 79283600

IUPAC2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCOC(CC)C1
InChIInChI=1S/C12H18N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h1,10H,4-9H2,2H3,(H,15,16)
InChIKeyJVJQWQFHPQMDEJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds4

About 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid

2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid (PubChem CID 79283600) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
PubChem CID79283600
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCOC(CC)C1
InChIInChI=1S/C12H18N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h1,10H,4-9H2,2H3,(H,15,16)
InChIKeyJVJQWQFHPQMDEJ-UHFFFAOYSA-N
XLogP0.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]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-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284058
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-ethylmorpholine-4-carboxylic acid
CID 121455686
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
2-[(4-methylsulfonylpiperazine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283806
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81204721
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433326
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid (CID 79283600) is 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)N1CCOC(CC)C1.
What is the InChIKey of 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The InChIKey is JVJQWQFHPQMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h1,10H,4-9H2,2H3,(H,15,16).
What are the key properties of 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79283600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).