3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

C12H23N3O4 — CID 61428532

IUPAC3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCOCCN(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-13(9-10-19-2)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h3-10H2,1-2H3,(H,16,17)
InChIKeyHWTNUFQDQOFOSZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.22
Rot. Bonds6

About 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 61428532) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID61428532
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCOCCN(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-13(9-10-19-2)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h3-10H2,1-2H3,(H,16,17)
InChIKeyHWTNUFQDQOFOSZ-UHFFFAOYSA-N
XLogP-0.22
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 61192445
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 61196920
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
3-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61198108
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 61428532) is 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is COCCN(C)C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is HWTNUFQDQOFOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-13(9-10-19-2)12(18)15-7-5-14(6-8-15)4-3-11(16)17/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61428532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).