2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid

C11H19N3O5 — CID 83103394

IUPAC2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H19N3O5/c1-3-12-10(17)8-7-19-5-4-14(8)11(18)13(2)6-9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyITCSAIPUTWUPSF-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.04
Rot. Bonds4

About 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid (PubChem CID 83103394) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
PubChem CID83103394
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H19N3O5/c1-3-12-10(17)8-7-19-5-4-14(8)11(18)13(2)6-9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyITCSAIPUTWUPSF-UHFFFAOYSA-N
XLogP-1.04
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83104272
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid (CID 83103394) is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid is CCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The InChIKey is ITCSAIPUTWUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-3-12-10(17)8-7-19-5-4-14(8)11(18)13(2)6-9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid?
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 83103394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).