cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid

C13H19NO4 — CID 106321907

IUPACcis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C(=O)C1
InChIInChI=1S/C13H19NO4/c1-13(2)6-10(15)14(11(16)7-13)9-4-3-8(5-9)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t8-,9+/m1/s1
InChIKeyXFVNVCYEPVUQPE-BDAKNGLRSA-N
MW253.30 g/mol
LogP1.41
Rot. Bonds2

About cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 106321907) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID106321907
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namecis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C(=O)C1
InChIInChI=1S/C13H19NO4/c1-13(2)6-10(15)14(11(16)7-13)9-4-3-8(5-9)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t8-,9+/m1/s1
InChIKeyXFVNVCYEPVUQPE-BDAKNGLRSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321875
cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
CID 114173319
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801
1-(8-azabicyclo[3.2.1]octan-3-yl)-4,4-dimethylpiperidine-2,6-dione
CID 62932602
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 103499629
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
CID 99646275
3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
CID 66032376
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 98112257
3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79689061
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 106321907) is cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid is CC1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C(=O)C1.
What is the InChIKey of cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is XFVNVCYEPVUQPE-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2)6-10(15)14(11(16)7-13)9-4-3-8(5-9)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).