5-oxo-1-pentylpyrrolidine-3-carboxylic acid

C10H17NO3 — CID 4777958

IUPAC5-oxo-1-pentylpyrrolidine-3-carboxylic acid
SMILESCCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyFAWVVALMVHIUFV-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds5

About 5-oxo-1-pentylpyrrolidine-3-carboxylic acid

5-oxo-1-pentylpyrrolidine-3-carboxylic acid (PubChem CID 4777958) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-oxo-1-pentylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pentylpyrrolidine-3-carboxylic acid
PubChem CID4777958
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-oxo-1-pentylpyrrolidine-3-carboxylic acid
SMILESCCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyFAWVVALMVHIUFV-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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-Hexyl-4-methoxycarbonyl-2-pyrrolidone
CID 3054633
1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 654521
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111996

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-pentylpyrrolidine-3-carboxylic acid (CID 4777958) is 5-oxo-1-pentylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pentylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-pentylpyrrolidine-3-carboxylic acid is CCCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-pentylpyrrolidine-3-carboxylic acid?
The InChIKey is FAWVVALMVHIUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-5-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-oxo-1-pentylpyrrolidine-3-carboxylic acid?
5-oxo-1-pentylpyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4777958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).