(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid

C9H15NO3 — CID 7711162

IUPAC(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyLLPSQGIRADJCIU-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds4

About (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7711162) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7711162
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyLLPSQGIRADJCIU-SSDOTTSWSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
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-Allyl-5-Oxopyrrolidine-3-Carboxylic Acid
CID 3152393
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1,1'-(Ethylene)bis(5-oxopyrrolidine-3-carboxylic) acid
CID 102876

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid (CID 7711162) is (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid is CCCCN1C[C@H](C(=O)O)CC1=O.
What is the InChIKey of (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LLPSQGIRADJCIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7711162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).