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

C13H23N3O5 — CID 62311511

IUPAC2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC(=O)OC)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-4-14(9-11(17)21-3)13(20)16-7-5-15(6-8-16)10(2)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyFXMWXOANVAFEHB-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.31
Rot. Bonds5

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

2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62311511) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62311511
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC(=O)OC)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c1-4-14(9-11(17)21-3)13(20)16-7-5-15(6-8-16)10(2)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyFXMWXOANVAFEHB-UHFFFAOYSA-N
XLogP-0.31
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 62312294
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
methyl 2-[azepane-1-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79152220
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 104552966
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
2-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62693120
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62311511) is 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid is CCN(CC(=O)OC)C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is FXMWXOANVAFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-4-14(9-11(17)21-3)13(20)16-7-5-15(6-8-16)10(2)12(18)19/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62311511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).