2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 107414464

IUPAC2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(CNC(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-3-4-13(9-11)10-16-15(21)18-7-5-17(6-8-18)12(2)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDJBNNXGNFWGTIW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid

2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 107414464) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
PubChem CID107414464
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1CCC(CNC(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-3-4-13(9-11)10-16-15(21)18-7-5-17(6-8-18)12(2)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDJBNNXGNFWGTIW-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

2-[4-(oxan-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 63707581
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 107414675
2-[4-(thian-2-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 80609252
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62693120
2-[4-(2-methylsulfanylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 63960354
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 62310100
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64923423

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid (CID 107414464) is 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid is CC1CCC(CNC(=O)N2CCN(C(C)C(=O)O)CC2)C1.
What is the InChIKey of 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is DJBNNXGNFWGTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-3-4-13(9-11)10-16-15(21)18-7-5-17(6-8-18)12(2)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[(3-methylcyclopentyl)methylcarbamoyl]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 2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 107414464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).