(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 78999436

IUPAC(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)N(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-7(2)12(3)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyLSAWPHCUPCVYOD-CFCGPWAMSA-N
MW244.29 g/mol
LogP0.36
Rot. Bonds3

About (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 78999436) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID78999436
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)N(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-7(2)12(3)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyLSAWPHCUPCVYOD-CFCGPWAMSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104552967
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534
(2S,4S)-4-hydroxy-1-[methyl(4-methylsulfanylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104876587
(2S,4S)-4-hydroxy-1-[methyl(3-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713740
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S)-1-[2,2-difluoroethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104871074
4-hydroxy-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63960076
(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 150158266

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 78999436) is (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCC(C)N(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LSAWPHCUPCVYOD-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-7(2)12(3)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,15,16)/t7?,8-,9-/m1/s1.
What are the key properties of (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).