2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid

C12H23N3O4 — CID 61447579

IUPAC2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCN(CCOC)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-3-14(8-9-19-2)12(18)15-6-4-13(5-7-15)10-11(16)17/h3-10H2,1-2H3,(H,16,17)
InChIKeyGHGLHOJIGGNWEC-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.22
Rot. Bonds6

About 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61447579) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61447579
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCN(CCOC)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-3-14(8-9-19-2)12(18)15-6-4-13(5-7-15)10-11(16)17/h3-10H2,1-2H3,(H,16,17)
InChIKeyGHGLHOJIGGNWEC-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

2-[4-[2-ethoxyethyl(ethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63691291
2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 103103574
2-[4-[cyclopropyl(2-methoxyethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62825543
2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618832
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
2-[4-[bis(2-hydroxyethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62825537
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
2-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63699766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid (CID 61447579) is 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid is CCN(CCOC)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is GHGLHOJIGGNWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-3-14(8-9-19-2)12(18)15-6-4-13(5-7-15)10-11(16)17/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic 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 2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).