5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid

C13H25N3O4 — CID 102994626

IUPAC5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CCCN(C)C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-16(10-6-9-15(2)3)13(20)14-11(17)7-5-8-12(18)19/h4-10H2,1-3H3,(H,18,19)(H,14,17,20)
InChIKeyFQSGWXZFKSRQHB-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.75
Rot. Bonds9

About 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid

5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid (PubChem CID 102994626) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
PubChem CID102994626
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CCCN(C)C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-16(10-6-9-15(2)3)13(20)14-11(17)7-5-8-12(18)19/h4-10H2,1-3H3,(H,18,19)(H,14,17,20)
InChIKeyFQSGWXZFKSRQHB-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55228085
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 63959613
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 102995342
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid (CID 102994626) is 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid is CCN(CCCN(C)C)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is FQSGWXZFKSRQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-16(10-6-9-15(2)3)13(20)14-11(17)7-5-8-12(18)19/h4-10H2,1-3H3,(H,18,19)(H,14,17,20).
What are the key properties of 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 102994626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).