(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide

C11H20N2O3 — CID 103874900

IUPAC(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C11H20N2O3/c1-3-11(4-2,7-14)13-10(16)8-5-6-9(15)12-8/h8,14H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1
InChIKeySQFOWVZXNKJKDY-MRVPVSSYSA-N
MW228.29 g/mol
LogP-0.07
Rot. Bonds5

About (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 103874900) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID103874900
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C11H20N2O3/c1-3-11(4-2,7-14)13-10(16)8-5-6-9(15)12-8/h8,14H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1
InChIKeySQFOWVZXNKJKDY-MRVPVSSYSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-hydroxy-2-methylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103874927
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
CID 159147898
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide (CID 103874900) is (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide is CCC(CC)(CO)NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SQFOWVZXNKJKDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(4-2,7-14)13-10(16)8-5-6-9(15)12-8/h8,14H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t8-/m1/s1.
What are the key properties of (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 103874900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).