(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide

C8H14N2O3 — CID 103799933

IUPAC(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCCO)N1
InChIInChI=1S/C8H14N2O3/c11-5-1-4-9-8(13)6-2-3-7(12)10-6/h6,11H,1-5H2,(H,9,13)(H,10,12)/t6-/m0/s1
InChIKeyFYJKRNMYPKUOEB-LURJTMIESA-N
MW186.21 g/mol
LogP-1.24
Rot. Bonds4

About (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 103799933) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID103799933
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCCO)N1
InChIInChI=1S/C8H14N2O3/c11-5-1-4-9-8(13)6-2-3-7(12)10-6/h6,11H,1-5H2,(H,9,13)(H,10,12)/t6-/m0/s1
InChIKeyFYJKRNMYPKUOEB-LURJTMIESA-N
XLogP-1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.24
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

(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
(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
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
(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
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
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 (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide (CID 103799933) is (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCCCO)N1.
What is the InChIKey of (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FYJKRNMYPKUOEB-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c11-5-1-4-9-8(13)6-2-3-7(12)10-6/h6,11H,1-5H2,(H,9,13)(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 103799933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).