(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

C8H13NO3 — CID 7583712

IUPAC(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyWTCXUEZECUORFV-LURJTMIESA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds3

About (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 7583712) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
PubChem CID7583712
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyWTCXUEZECUORFV-LURJTMIESA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 168690563
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (CID 7583712) is (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is CCCN1C[C@@H](C(=O)O)CC1=O.
What is the InChIKey of (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WTCXUEZECUORFV-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7583712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).