4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid

C14H26N2O4 — CID 61202387

IUPAC4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-11(2)16(7-5-6-12(17)18)13(19)15-8-9-20-14(3,4)10-15/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyYKBVAMRAFXRCBI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds5

About 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 61202387) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID61202387
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-11(2)16(7-5-6-12(17)18)13(19)15-8-9-20-14(3,4)10-15/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyYKBVAMRAFXRCBI-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid (CID 61202387) is 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is YKBVAMRAFXRCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)16(7-5-6-12(17)18)13(19)15-8-9-20-14(3,4)10-15/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61202387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).