5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid

C14H29N3O3 — CID 82689190

IUPAC5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
SMILESCCN(CC)CCCNC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H29N3O3/c1-4-17(5-2)10-6-9-15-14(20)16-11-12(3)7-8-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyUQNWKURTRYHMJJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds11

About 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid

5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 82689190) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
PubChem CID82689190
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
SMILESCCN(CC)CCCNC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H29N3O3/c1-4-17(5-2)10-6-9-15-14(20)16-11-12(3)7-8-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyUQNWKURTRYHMJJ-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid (CID 82689190) is 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid is CCN(CC)CCCNC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is UQNWKURTRYHMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-4-17(5-2)10-6-9-15-14(20)16-11-12(3)7-8-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid?
5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82689190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).