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

C12H21N3O5 — CID 83103752

IUPAC2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NC(CC)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-8(11(17)18)14-12(19)15-5-6-20-7-9(15)10(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUFFMRIMNTFVCKU-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.60
Rot. Bonds5

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

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 83103752) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID83103752
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NC(CC)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-8(11(17)18)14-12(19)15-5-6-20-7-9(15)10(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUFFMRIMNTFVCKU-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
CID 106110427
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid (CID 83103752) is 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid is CCNC(=O)C1COCCN1C(=O)NC(CC)C(=O)O.
What is the InChIKey of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is UFFMRIMNTFVCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-8(11(17)18)14-12(19)15-5-6-20-7-9(15)10(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid?
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 83103752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).