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

C11H21N3O4 — CID 62309701

IUPAC2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N(C)CCO)CC1
InChIInChI=1S/C11H21N3O4/c1-9(10(16)17)13-3-5-14(6-4-13)11(18)12(2)7-8-15/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyKUHYKPMJFUSLRJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.88
Rot. Bonds4

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

2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62309701) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62309701
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N(C)CCO)CC1
InChIInChI=1S/C11H21N3O4/c1-9(10(16)17)13-3-5-14(6-4-13)11(18)12(2)7-8-15/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyKUHYKPMJFUSLRJ-UHFFFAOYSA-N
XLogP-0.88
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
2-[4-[methyl(2-methylsulfonylethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 79846116
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
2-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 104552966
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309502
2-[4-[4-(dimethylamino)butylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62310718
2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]propanoic acid
CID 62317940
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62309701) is 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)N(C)CCO)CC1.
What is the InChIKey of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is KUHYKPMJFUSLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-9(10(16)17)13-3-5-14(6-4-13)11(18)12(2)7-8-15/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62309701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).