2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid

C12H22N2O4 — CID 61203406

IUPAC2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCOC(CC)C1
InChIInChI=1S/C12H22N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyXSBXUKVKSZPYMM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds5

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

2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid (PubChem CID 61203406) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
PubChem CID61203406
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCOC(CC)C1
InChIInChI=1S/C12H22N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyXSBXUKVKSZPYMM-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
4-[(2-ethyl-1,4-oxazepane-4-carbonyl)-methylamino]butanoic acid
CID 114218598

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid (CID 61203406) is 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N1CCOC(CC)C1.
What is the InChIKey of 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid?
The InChIKey is XSBXUKVKSZPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-5-13(9-11(15)16)12(17)14-6-7-18-10(4-2)8-14/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid?
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 5 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)-propylamino]acetic acid is sourced from PubChem (CID 61203406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).