(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C10H19NO4 — CID 66758216

IUPAC(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)[C@@H](O)CCN1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(6-12)7(13)4-5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyRGARCPNZICNJBS-OIBJUYFYSA-N
MW217.26 g/mol
LogP0.51
Rot. Bonds1

About (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66758216) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID66758216
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)[C@@H](O)CCN1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(6-12)7(13)4-5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyRGARCPNZICNJBS-OIBJUYFYSA-N
XLogP0.51
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-tert-butyl-2-(hydroxymethyl)-3-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid
CID 141395897
(2R)-2-tert-butyl-3-hydroxy-2-(7-methoxy-7-oxohept-2-enyl)pyrrolidine-1-carboxylic acid
CID 66993929
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69059096
4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid
CID 66820432
(2R,3R)-3-benzoyloxy-2-tert-butyl-2-prop-2-ynylpyrrolidine-1-carboxylic acid
CID 87071333
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
(5R)-2,2,3,3-tetratert-butyl-5-methyl-1,4-diazepane-1-carboxylic acid
CID 124524414
tert-butyl 4-hydroxy-3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate
CID 118798712
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141
2-cyclopentyl-1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 115275051

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 66758216) is (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)[C@@]1(CO)[C@@H](O)CCN1C(=O)O.
What is the InChIKey of (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is RGARCPNZICNJBS-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)10(6-12)7(13)4-5-11(10)8(14)15/h7,12-13H,4-6H2,1-3H3,(H,14,15)/t7-,10+/m0/s1.
What are the key properties of (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).