1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid

C9H15NO3 — CID 4777942

IUPAC1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyYWZWNDCJUFFVLP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds3

About 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 4777942) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID4777942
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyYWZWNDCJUFFVLP-UHFFFAOYSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 108402
1-Methyl-5-oxopyrrolidine-3-carboxylic acid
CID 122766
5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3163418
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
1-Cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
CID 4714359
1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-[3-(Dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3023569
1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 654521
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1,1'-(Ethylene)bis(5-oxopyrrolidine-3-carboxylic) acid
CID 102876
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 4777942) is 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid is CC(C)CN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YWZWNDCJUFFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4777942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).