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

C13H24N4O4 — CID 62312294

IUPAC2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-4-15(9-11(18)14-3)13(21)17-7-5-16(6-8-17)10(2)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyGUOAPZIRPAGZHN-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.74
Rot. Bonds5

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

2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62312294) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62312294
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-4-15(9-11(18)14-3)13(21)17-7-5-16(6-8-17)10(2)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyGUOAPZIRPAGZHN-UHFFFAOYSA-N
XLogP-0.74
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311511
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
(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-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
2-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62693120
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid (CID 62312294) is 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid is CCN(CC(=O)NC)C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is GUOAPZIRPAGZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-15(9-11(18)14-3)13(21)17-7-5-16(6-8-17)10(2)12(19)20/h10H,4-9H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).