cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid

C14H21NO4 — CID 106321875

IUPACcis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C1=O
InChIInChI=1S/C14H21NO4/c1-8(2)14(3)7-11(16)15(13(14)19)10-5-4-9(6-10)12(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)/t9-,10+,14?/m1/s1
InChIKeyZSAAYGITWSMPTD-GYJNLRRWSA-N
MW267.32 g/mol
LogP1.66
Rot. Bonds3

About cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 106321875) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID106321875
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namecis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C1=O
InChIInChI=1S/C14H21NO4/c1-8(2)14(3)7-11(16)15(13(14)19)10-5-4-9(6-10)12(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)/t9-,10+,14?/m1/s1
InChIKeyZSAAYGITWSMPTD-GYJNLRRWSA-N
XLogP1.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 106321875) is cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is CC(C)C1(C)CC(=O)N([C@H]2CC[C@@H](C(=O)O)C2)C1=O.
What is the InChIKey of cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZSAAYGITWSMPTD-GYJNLRRWSA-N. The full InChI is InChI=1S/C14H21NO4/c1-8(2)14(3)7-11(16)15(13(14)19)10-5-4-9(6-10)12(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)/t9-,10+,14?/m1/s1.
What are the key properties of cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).