(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide

C9H16N2O3 — CID 107168306

IUPAC(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCCCO)N1
InChIInChI=1S/C9H16N2O3/c12-6-2-1-5-10-9(14)7-3-4-8(13)11-7/h7,12H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeySBDDOGNHQYJHNU-SSDOTTSWSA-N
MW200.24 g/mol
LogP-0.85
Rot. Bonds5

About (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide

(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 107168306) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID107168306
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCCCO)N1
InChIInChI=1S/C9H16N2O3/c12-6-2-1-5-10-9(14)7-3-4-8(13)11-7/h7,12H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeySBDDOGNHQYJHNU-SSDOTTSWSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
5-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrrolidine-2-carboxamide
CID 110743126

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide (CID 107168306) is (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCCCCO)N1.
What is the InChIKey of (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SBDDOGNHQYJHNU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-6-2-1-5-10-9(14)7-3-4-8(13)11-7/h7,12H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1.
What are the key properties of (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 107168306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).