3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid

C12H21N3O5 — CID 83095443

IUPAC3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)N1CCOCC1C(N)=O)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-14(8(2)6-10(16)17)12(19)15-4-5-20-7-9(15)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,16,17)
InChIKeyOYODTDOIZXGJND-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.52
Rot. Bonds5

About 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid

3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid (PubChem CID 83095443) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
PubChem CID83095443
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)N1CCOCC1C(N)=O)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-14(8(2)6-10(16)17)12(19)15-4-5-20-7-9(15)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,16,17)
InChIKeyOYODTDOIZXGJND-UHFFFAOYSA-N
XLogP-0.52
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 83095821
4-[3-(aminomethyl)pentanoyl]morpholine-3-carboxamide
CID 83102085
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 83095908
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
CID 83102641
3-[1,4-dioxane-2-carbonyl(ethyl)amino]butanoic acid
CID 62822627
4-(5-amino-2-methylpentanoyl)morpholine-3-carboxamide
CID 104685527
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid?
The IUPAC name of 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid (CID 83095443) is 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid.
What is the SMILES notation for 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid?
The canonical SMILES for 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid is CCN(C(=O)N1CCOCC1C(N)=O)C(C)CC(=O)O.
What is the InChIKey of 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid?
The InChIKey is OYODTDOIZXGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-14(8(2)6-10(16)17)12(19)15-4-5-20-7-9(15)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,16,17).
What are the key properties of 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid?
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid is sourced from PubChem (CID 83095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).