(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid

C13H23NO5 — CID 10659844

IUPAC(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8(11(16)17)10(15)9-6-5-7-14(9)12(18)19-13(2,3)4/h8-10,15H,5-7H2,1-4H3,(H,16,17)/t8-,9+,10-/m1/s1
InChIKeyNIEWBEWCDFGNTM-KXUCPTDWSA-N
MW273.33 g/mol
LogP1.47
Rot. Bonds3

About (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid

(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid (PubChem CID 10659844) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
PubChem CID10659844
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8(11(16)17)10(15)9-6-5-7-14(9)12(18)19-13(2,3)4/h8-10,15H,5-7H2,1-4H3,(H,16,17)/t8-,9+,10-/m1/s1
InChIKeyNIEWBEWCDFGNTM-KXUCPTDWSA-N
XLogP1.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid (CID 10659844) is (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid is C[C@@H](C(=O)O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid?
The InChIKey is NIEWBEWCDFGNTM-KXUCPTDWSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8(11(16)17)10(15)9-6-5-7-14(9)12(18)19-13(2,3)4/h8-10,15H,5-7H2,1-4H3,(H,16,17)/t8-,9+,10-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid?
(2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 10659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).