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

C13H23N3O5 — CID 83104157

IUPAC4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-14-12(19)10-9-21-8-7-16(10)13(20)15(2)6-4-5-11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyXOTSJMYWJZMFAI-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.26
Rot. Bonds6

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

4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid (PubChem CID 83104157) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
PubChem CID83104157
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-14-12(19)10-9-21-8-7-16(10)13(20)15(2)6-4-5-11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyXOTSJMYWJZMFAI-UHFFFAOYSA-N
XLogP-0.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83104272
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
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
4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
CID 83106514
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid (CID 83104157) is 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid is CCNC(=O)C1COCCN1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
The InChIKey is XOTSJMYWJZMFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-14-12(19)10-9-21-8-7-16(10)13(20)15(2)6-4-5-11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid?
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 83104157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).