3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid

C9H16N2O3 — CID 61196461

IUPAC3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
SMILESCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-10(2)9(14)11(7-3-4-7)6-5-8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKQJJVSUOOGHRLT-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds4

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

3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid (PubChem CID 61196461) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
PubChem CID61196461
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
SMILESCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-10(2)9(14)11(7-3-4-7)6-5-8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKQJJVSUOOGHRLT-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 63682050
3-[[butyl(2-hydroxyethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61447426
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid (CID 61196461) is 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid is CN(C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid?
The InChIKey is KQJJVSUOOGHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(2)9(14)11(7-3-4-7)6-5-8(12)13/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid?
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61196461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).