3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid

C15H27N3O3 — CID 82323003

IUPAC3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCN(CC(=O)NC2CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-12(15(20)21)10-17-6-8-18(9-7-17)11-14(19)16-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,19)(H,20,21)
InChIKeyPINRZLKGBCVNBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.38
Rot. Bonds6

About 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid

3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid (PubChem CID 82323003) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
PubChem CID82323003
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCN(CC(=O)NC2CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-12(15(20)21)10-17-6-8-18(9-7-17)11-14(19)16-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,19)(H,20,21)
InChIKeyPINRZLKGBCVNBG-UHFFFAOYSA-N
XLogP0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783276
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
N-(1-ethylpiperidin-4-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95335405
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
N-cyclopropyl-2-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 97038977

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid (CID 82323003) is 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid is CC(CN1CCN(CC(=O)NC2CCCC2)CC1)C(=O)O.
What is the InChIKey of 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid?
The InChIKey is PINRZLKGBCVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(15(20)21)10-17-6-8-18(9-7-17)11-14(19)16-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid?
3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopentylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 82323003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).