2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 64923423

IUPAC2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)N2CCN(C(C)C(=O)O)CC2)C1C
InChIInChI=1S/C15H27N3O3/c1-10-4-5-13(11(10)2)16-15(21)18-8-6-17(7-9-18)12(3)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyIHESOCDWHXNSOL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds3

About 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid

2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 64923423) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID64923423
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)N2CCN(C(C)C(=O)O)CC2)C1C
InChIInChI=1S/C15H27N3O3/c1-10-4-5-13(11(10)2)16-15(21)18-8-6-17(7-9-18)12(3)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyIHESOCDWHXNSOL-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64921848
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64923035
2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 114549086
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64923426
1-[(2,3-dimethylcyclopentyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782804
2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 107414464
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240346
3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid
CID 79396885
(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79001469
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 64923423) is 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is CC1CCC(NC(=O)N2CCN(C(C)C(=O)O)CC2)C1C.
What is the InChIKey of 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is IHESOCDWHXNSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10-4-5-13(11(10)2)16-15(21)18-8-6-17(7-9-18)12(3)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64923423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).