4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid

C11H20N2O3 — CID 43264449

IUPAC4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
SMILESCCN(C(=O)N(C)CCCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-13(9-6-7-9)11(16)12(2)8-4-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyHMYULPOGHBUSOI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.39
Rot. Bonds6

About 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid

4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid (PubChem CID 43264449) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
PubChem CID43264449
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
SMILESCCN(C(=O)N(C)CCCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-13(9-6-7-9)11(16)12(2)8-4-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyHMYULPOGHBUSOI-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-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 55000266
4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 63707414
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid (CID 43264449) is 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid is CCN(C(=O)N(C)CCCC(=O)O)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is HMYULPOGHBUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(9-6-7-9)11(16)12(2)8-4-5-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid?
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic 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 4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43264449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).