(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid

C7H13NO4 — CID 14213614

IUPAC(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid
SMILESO=C(O)C[C@H](O)[C@@H]1NCC[C@H]1O
InChIInChI=1S/C7H13NO4/c9-4-1-2-8-7(4)5(10)3-6(11)12/h4-5,7-10H,1-3H2,(H,11,12)/t4-,5+,7-/m1/s1
InChIKeyVBNASWCFBIYQKR-JCGDXUMPSA-N
MW175.18 g/mol
LogP-1.46
Rot. Bonds3

About (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid

(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid (PubChem CID 14213614) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid
PubChem CID14213614
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid
SMILESO=C(O)C[C@H](O)[C@@H]1NCC[C@H]1O
InChIInChI=1S/C7H13NO4/c9-4-1-2-8-7(4)5(10)3-6(11)12/h4-5,7-10H,1-3H2,(H,11,12)/t4-,5+,7-/m1/s1
InChIKeyVBNASWCFBIYQKR-JCGDXUMPSA-N
XLogP-1.46
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid?
The IUPAC name of (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid (CID 14213614) is (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid?
The canonical SMILES for (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid is O=C(O)C[C@H](O)[C@@H]1NCC[C@H]1O.
What is the InChIKey of (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid?
The InChIKey is VBNASWCFBIYQKR-JCGDXUMPSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-1-2-8-7(4)5(10)3-6(11)12/h4-5,7-10H,1-3H2,(H,11,12)/t4-,5+,7-/m1/s1.
What are the key properties of (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid?
(3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid has a molecular weight of 175.18 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(2R,3R)-3-hydroxypyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 14213614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).