2-amino-4-morpholin-4-ylpentanedioic acid

C9H16N2O5 — CID 22326380

IUPAC2-amino-4-morpholin-4-ylpentanedioic acid
SMILESNC(CC(C(=O)O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(8(12)13)5-7(9(14)15)11-1-3-16-4-2-11/h6-7H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyYFGSPZNDWAALHB-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.43
Rot. Bonds5

About 2-amino-4-morpholin-4-ylpentanedioic acid

2-amino-4-morpholin-4-ylpentanedioic acid (PubChem CID 22326380) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-4-morpholin-4-ylpentanedioic acid.

Molecular Properties

Compound Name2-amino-4-morpholin-4-ylpentanedioic acid
PubChem CID22326380
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-amino-4-morpholin-4-ylpentanedioic acid
SMILESNC(CC(C(=O)O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(8(12)13)5-7(9(14)15)11-1-3-16-4-2-11/h6-7H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyYFGSPZNDWAALHB-UHFFFAOYSA-N
XLogP-1.43
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-morpholin-4-ylpentanedioic acid?
The IUPAC name of 2-amino-4-morpholin-4-ylpentanedioic acid (CID 22326380) is 2-amino-4-morpholin-4-ylpentanedioic acid.
What is the SMILES notation for 2-amino-4-morpholin-4-ylpentanedioic acid?
The canonical SMILES for 2-amino-4-morpholin-4-ylpentanedioic acid is NC(CC(C(=O)O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-morpholin-4-ylpentanedioic acid?
The InChIKey is YFGSPZNDWAALHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c10-6(8(12)13)5-7(9(14)15)11-1-3-16-4-2-11/h6-7H,1-5,10H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-4-morpholin-4-ylpentanedioic acid?
2-amino-4-morpholin-4-ylpentanedioic acid has a molecular weight of 232.24 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-morpholin-4-ylpentanedioic acid is sourced from PubChem (CID 22326380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).