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

C15H27N3O3 — CID 64921848

IUPAC3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)N2CCN(CCC(=O)O)CC2)C1C
InChIInChI=1S/C15H27N3O3/c1-11-3-4-13(12(11)2)16-15(21)18-9-7-17(8-10-18)6-5-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyLZTMGWHJBZKAKQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds4

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

3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 64921848) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID64921848
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)N2CCN(CCC(=O)O)CC2)C1C
InChIInChI=1S/C15H27N3O3/c1-11-3-4-13(12(11)2)16-15(21)18-9-7-17(8-10-18)6-5-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyLZTMGWHJBZKAKQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64923423
2-[1-[(2,3-dimethylcyclopentyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64923426
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64923035
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433739
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 64921848) is 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is CC1CCC(NC(=O)N2CCN(CCC(=O)O)CC2)C1C.
What is the InChIKey of 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is LZTMGWHJBZKAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-3-4-13(12(11)2)16-15(21)18-9-7-17(8-10-18)6-5-14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).