2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid

C14H21NO4 — CID 64670096

IUPAC2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)C1(C)CC(=O)N(C(C)(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C14H21NO4/c1-8(2)13(3)7-10(16)15(11(13)17)14(4,12(18)19)9-5-6-9/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyFWMNCHQAIOCBCP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.66
Rot. Bonds4

About 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid

2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 64670096) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
PubChem CID64670096
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)C1(C)CC(=O)N(C(C)(C(=O)O)C2CC2)C1=O
InChIInChI=1S/C14H21NO4/c1-8(2)13(3)7-10(16)15(11(13)17)14(4,12(18)19)9-5-6-9/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyFWMNCHQAIOCBCP-UHFFFAOYSA-N
XLogP1.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid
CID 61345098
cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321875
4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 43437413
3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 43437495
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
CID 107409501
2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 82237816
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
3-methyl-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)oxolane-3-carboxylic acid
CID 66250096
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
CID 61344571
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
4-fluoro-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60828845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid (CID 64670096) is 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid is CC(C)C1(C)CC(=O)N(C(C)(C(=O)O)C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is FWMNCHQAIOCBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-8(2)13(3)7-10(16)15(11(13)17)14(4,12(18)19)9-5-6-9/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 64670096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).