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

C14H27N3O3 — CID 62311696

IUPAC2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCCC(C)N(C)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-5-6-11(2)15(4)14(20)17-9-7-16(8-10-17)12(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyOHIAXYMICCXMQL-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds5

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

2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62311696) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62311696
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCCCC(C)N(C)C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-5-6-11(2)15(4)14(20)17-9-7-16(8-10-17)12(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyOHIAXYMICCXMQL-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 104552966
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63126538
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-[4-[methyl(2-methylsulfonylethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 79846116
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-(4-nonanoylpiperazin-1-yl)propanoic acid
CID 62317785
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62311696) is 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid is CCCC(C)N(C)C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is OHIAXYMICCXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-6-11(2)15(4)14(20)17-9-7-16(8-10-17)12(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62311696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).