3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid

C11H20N2O3 — CID 61186595

IUPAC3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
SMILESCCN(CC)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)11(16)13(9-5-6-9)8-7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyDEWBJIMWERGFMG-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.39
Rot. Bonds6

About 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid

3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid (PubChem CID 61186595) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
PubChem CID61186595
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
SMILESCCN(CC)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)11(16)13(9-5-6-9)8-7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyDEWBJIMWERGFMG-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[[2-cyanopropyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 54988632
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
CID 79154786
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
1-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid (CID 61186595) is 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid is CCN(CC)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid?
The InChIKey is DEWBJIMWERGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12(4-2)11(16)13(9-5-6-9)8-7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid?
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61186595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).