2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid

C11H19N3O5 — CID 61206204

IUPAC2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCOC(=O)CNC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c1-2-19-10(17)7-12-11(18)14-5-3-13(4-6-14)8-9(15)16/h2-8H2,1H3,(H,12,18)(H,15,16)
InChIKeyIWQXEENFMNQCGK-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.04
Rot. Bonds5

About 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61206204) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61206204
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCCOC(=O)CNC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O5/c1-2-19-10(17)7-12-11(18)14-5-3-13(4-6-14)8-9(15)16/h2-8H2,1H3,(H,12,18)(H,15,16)
InChIKeyIWQXEENFMNQCGK-UHFFFAOYSA-N
XLogP-1.04
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,7-bis(carboxymethyl)-10-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118499456
2-[4-[(4-ethoxy-4-oxobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64575856
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907546
2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
3-[7-(carboxymethyl)-4,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 129038037
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678
ethyl 2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetate
CID 107405958
2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid
CID 43521481
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
2-[4-(2-ethylsulfinylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 113495107
2-[4-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823976
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid (CID 61206204) is 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid is CCOC(=O)CNC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is IWQXEENFMNQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-2-19-10(17)7-12-11(18)14-5-3-13(4-6-14)8-9(15)16/h2-8H2,1H3,(H,12,18)(H,15,16).
What are the key properties of 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61206204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).