2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid

C13H23N3O3 — CID 62369979

IUPAC2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-14(10-12(17)18)13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyIJXFTHUTGGNSIB-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.68
Rot. Bonds3

About 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid

2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid (PubChem CID 62369979) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
PubChem CID62369979
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-14(10-12(17)18)13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyIJXFTHUTGGNSIB-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55007622
4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
CID 3066976
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-[methyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62993110
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl(butan-2-yl)amino]acetic acid
CID 79943366
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid (CID 62369979) is 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is IJXFTHUTGGNSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14(10-12(17)18)13(19)16-8-6-15(7-9-16)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid?
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 62369979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).