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

C11H19NO3 — CID 7144531

IUPAC(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-12-8-9(11(14)15)7-10(12)13/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyVHKDTUOUWLJSJT-SECBINFHSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds6

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

(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7144531) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7144531
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCCCN1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-12-8-9(11(14)15)7-10(12)13/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyVHKDTUOUWLJSJT-SECBINFHSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
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-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792

Frequently Asked Questions

What is the IUPAC name of (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid (CID 7144531) is (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid is CCCCCCN1C[C@H](C(=O)O)CC1=O.
What is the InChIKey of (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VHKDTUOUWLJSJT-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-6-12-8-9(11(14)15)7-10(12)13/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7144531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).