2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

C11H21N3O3 — CID 62311309

IUPAC2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(C)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-4-12(3)11(17)14-7-5-13(6-8-14)9(2)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJEVPPXIWKHCXRK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.15
Rot. Bonds3

About 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62311309) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62311309
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(C)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-4-12(3)11(17)14-7-5-13(6-8-14)9(2)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJEVPPXIWKHCXRK-UHFFFAOYSA-N
XLogP0.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
2-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 104552966
2-[4-[methyl(2-methylsulfonylethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 79846116
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311511
2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 62312294
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309502
2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]propanoic acid
CID 62317940
2-[4-(3-amino-2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 113307645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62311309) is 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is CCN(C)C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is JEVPPXIWKHCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-12(3)11(17)14-7-5-13(6-8-14)9(2)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62311309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).