(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid

C14H25NO5 — CID 67269776

IUPAC(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCCOC(=O)CC[C@]1(C(C)(C)C)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-20-11(17)6-7-14(13(2,3)4)8-10(16)9-15(14)12(18)19/h10,16H,5-9H2,1-4H3,(H,18,19)/t10-,14-/m1/s1
InChIKeyHFKGXVVPGOHWSC-QMTHXVAHSA-N
MW287.36 g/mol
LogP1.86
Rot. Bonds4

About (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid

(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 67269776) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID67269776
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCCOC(=O)CC[C@]1(C(C)(C)C)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-20-11(17)6-7-14(13(2,3)4)8-10(16)9-15(14)12(18)19/h10,16H,5-9H2,1-4H3,(H,18,19)/t10-,14-/m1/s1
InChIKeyHFKGXVVPGOHWSC-QMTHXVAHSA-N
XLogP1.86
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69059096
4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 166720603
(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
CID 171774635
tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 126838253
CID 136749907
CID 136749907
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 67825631
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103
(2S,4S)-2-tert-butyl-2-(dimethylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67430111
ethyl 3-[(1R)-1,2,2-trifluorocyclobutyl]propanoate
CID 162539585
2-O-ethyl 1-O-methyl (2S,4R)-4-hydroxy-2-(2-methylpropanoyl)pyrrolidine-1,2-dicarboxylate
CID 71520157

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 67269776) is (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid is CCOC(=O)CC[C@]1(C(C)(C)C)C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is HFKGXVVPGOHWSC-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-20-11(17)6-7-14(13(2,3)4)8-10(16)9-15(14)12(18)19/h10,16H,5-9H2,1-4H3,(H,18,19)/t10-,14-/m1/s1.
What are the key properties of (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67269776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).