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

C13H23N3O5 — CID 83104262

IUPAC2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-9(12(18)19)15(3)13(20)16-6-7-21-8-10(16)11(17)14-5-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyQOELQYDPSSJBMC-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.26
Rot. Bonds5

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

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid (PubChem CID 83104262) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
PubChem CID83104262
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-4-9(12(18)19)15(3)13(20)16-6-7-21-8-10(16)11(17)14-5-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyQOELQYDPSSJBMC-UHFFFAOYSA-N
XLogP-0.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.26
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
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83104272
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-(2-carbamothioylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097501

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid (CID 83104262) is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid is CCNC(=O)C1COCCN1C(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The InChIKey is QOELQYDPSSJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-4-9(12(18)19)15(3)13(20)16-6-7-21-8-10(16)11(17)14-5-2/h9-10H,4-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.26, 5 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]butanoic acid is sourced from PubChem (CID 83104262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).