2-[formyl(propyl)amino]hexanoic acid

C10H19NO3 — CID 63689279

IUPAC2-[formyl(propyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C=O)CCC
InChIInChI=1S/C10H19NO3/c1-3-5-6-9(10(13)14)11(8-12)7-4-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVODNUNCGKBBKGQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds8

About 2-[formyl(propyl)amino]hexanoic acid

2-[formyl(propyl)amino]hexanoic acid (PubChem CID 63689279) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[formyl(propyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[formyl(propyl)amino]hexanoic acid
PubChem CID63689279
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[formyl(propyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C=O)CCC
InChIInChI=1S/C10H19NO3/c1-3-5-6-9(10(13)14)11(8-12)7-4-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVODNUNCGKBBKGQ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propyl)amino]hexanoic acid?
The IUPAC name of 2-[formyl(propyl)amino]hexanoic acid (CID 63689279) is 2-[formyl(propyl)amino]hexanoic acid.
What is the SMILES notation for 2-[formyl(propyl)amino]hexanoic acid?
The canonical SMILES for 2-[formyl(propyl)amino]hexanoic acid is CCCCC(C(=O)O)N(C=O)CCC.
What is the InChIKey of 2-[formyl(propyl)amino]hexanoic acid?
The InChIKey is VODNUNCGKBBKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-6-9(10(13)14)11(8-12)7-4-2/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[formyl(propyl)amino]hexanoic acid?
2-[formyl(propyl)amino]hexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propyl)amino]hexanoic acid is sourced from PubChem (CID 63689279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).