5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid

C12H24N2O3 — CID 55157683

IUPAC5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(C)CCCNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,9-11(16)17)8-10(15)13-6-5-7-14(3)4/h5-9H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyGCBSMGWESXLAAZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.95
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55157683) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55157683
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(C)CCCNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,9-11(16)17)8-10(15)13-6-5-7-14(3)4/h5-9H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyGCBSMGWESXLAAZ-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
CID 110295213
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
5-(2-cyanoethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933016
5-[[(2R)-1-[3-(dimethylamino)propylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 69463349
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 55157683) is 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid is CN(C)CCCNC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is GCBSMGWESXLAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,9-11(16)17)8-10(15)13-6-5-7-14(3)4/h5-9H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55157683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).