3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid

C11H21N3O4 — CID 54964855

IUPAC3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CN1CCOCC1)NC(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-9(8-14-4-6-18-7-5-14)13-11(17)12-3-2-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyPLBMMYIGBDYNEO-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.52
Rot. Bonds6

About 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid

3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 54964855) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID54964855
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CN1CCOCC1)NC(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-9(8-14-4-6-18-7-5-14)13-11(17)12-3-2-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyPLBMMYIGBDYNEO-UHFFFAOYSA-N
XLogP-0.52
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid (CID 54964855) is 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid is CC(CN1CCOCC1)NC(=O)NCCC(=O)O.
What is the InChIKey of 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is PLBMMYIGBDYNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-9(8-14-4-6-18-7-5-14)13-11(17)12-3-2-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid?
3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 54964855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).