2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

C13H23N3O5 — CID 157029157

IUPAC2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESO=CNC(CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c17-10-15-11(13(19)20)3-1-2-4-14-12(18)9-16-5-7-21-8-6-16/h10-11H,1-9H2,(H,14,18)(H,15,17)(H,19,20)
InChIKeyLBTUHSFZTQQQSF-UHFFFAOYSA-N
MW301.34 g/mol
LogP-1.20
Rot. Bonds10

About 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (PubChem CID 157029157) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
PubChem CID157029157
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESO=CNC(CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c17-10-15-11(13(19)20)3-1-2-4-14-12(18)9-16-5-7-21-8-6-16/h10-11H,1-9H2,(H,14,18)(H,15,17)(H,19,20)
InChIKeyLBTUHSFZTQQQSF-UHFFFAOYSA-N
XLogP-1.20
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The IUPAC name of 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (CID 157029157) is 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The canonical SMILES for 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is O=CNC(CCCCNC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The InChIKey is LBTUHSFZTQQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c17-10-15-11(13(19)20)3-1-2-4-14-12(18)9-16-5-7-21-8-6-16/h10-11H,1-9H2,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid has a molecular weight of 301.34 g/mol, XLogP of -1.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 157029157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).