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

C13H21N3O5 — CID 83104272

IUPAC2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H21N3O5/c1-2-14-12(19)10-8-21-6-5-15(10)13(20)16(7-11(17)18)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyUGYOSNZQOZZXSA-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.51
Rot. Bonds5

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

2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid (PubChem CID 83104272) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
PubChem CID83104272
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H21N3O5/c1-2-14-12(19)10-8-21-6-5-15(10)13(20)16(7-11(17)18)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyUGYOSNZQOZZXSA-UHFFFAOYSA-N
XLogP-0.51
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104295
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
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
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid (CID 83104272) is 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid is CCNC(=O)C1COCCN1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The InChIKey is UGYOSNZQOZZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-2-14-12(19)10-8-21-6-5-15(10)13(20)16(7-11(17)18)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 83104272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).