(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid

C10H17NO5 — CID 150158266

IUPAC(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-3-6(2)16-10(15)11-5-7(12)4-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t6?,7-,8-/m1/s1
InChIKeyFGRYHDYQGZGNJD-SPDVFEMOSA-N
MW231.25 g/mol
LogP0.44
Rot. Bonds3

About (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 150158266) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID150158266
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-3-6(2)16-10(15)11-5-7(12)4-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t6?,7-,8-/m1/s1
InChIKeyFGRYHDYQGZGNJD-SPDVFEMOSA-N
XLogP0.44
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999436
(2S,4S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713050
(2S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955310
butan-2-yl 3-hydroxyazetidine-1-carboxylate
CID 133080854
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104552967
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4S)-1-[2-(carbamoylamino)-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714057
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 150158266) is (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid is CCC(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FGRYHDYQGZGNJD-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-6(2)16-10(15)11-5-7(12)4-8(11)9(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t6?,7-,8-/m1/s1.
What are the key properties of (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 150158266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).