5-oxo-5-(pentylamino)pentanoic acid

C10H19NO3 — CID 3584873

IUPAC5-oxo-5-(pentylamino)pentanoic acid
SMILESCCCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-2-3-4-8-11-9(12)6-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyPKCMLVVMFRJFSR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.55
Rot. Bonds8

About 5-oxo-5-(pentylamino)pentanoic acid

5-oxo-5-(pentylamino)pentanoic acid (PubChem CID 3584873) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-oxo-5-(pentylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(pentylamino)pentanoic acid
PubChem CID3584873
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-oxo-5-(pentylamino)pentanoic acid
SMILESCCCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-2-3-4-8-11-9(12)6-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyPKCMLVVMFRJFSR-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(pentylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(pentylamino)pentanoic acid (CID 3584873) is 5-oxo-5-(pentylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(pentylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(pentylamino)pentanoic acid is CCCCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-(pentylamino)pentanoic acid?
The InChIKey is PKCMLVVMFRJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-4-8-11-9(12)6-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-oxo-5-(pentylamino)pentanoic acid?
5-oxo-5-(pentylamino)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(pentylamino)pentanoic acid is sourced from PubChem (CID 3584873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).