2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid

C7H13NO5 — CID 67341795

IUPAC2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(6(11)12)7(13)5(10)4(9)2-8-7/h3-5,8-10,13H,2H2,1H3,(H,11,12)/t3?,4-,5-,7-/m1/s1
InChIKeySJWLNXZELRIAMH-PNZAXCMBSA-N
MW191.18 g/mol
LogP-2.28
Rot. Bonds2

About 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid

2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid (PubChem CID 67341795) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
PubChem CID67341795
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(6(11)12)7(13)5(10)4(9)2-8-7/h3-5,8-10,13H,2H2,1H3,(H,11,12)/t3?,4-,5-,7-/m1/s1
InChIKeySJWLNXZELRIAMH-PNZAXCMBSA-N
XLogP-2.28
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The IUPAC name of 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid (CID 67341795) is 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid is CC(C(=O)O)[C@]1(O)NC[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The InChIKey is SJWLNXZELRIAMH-PNZAXCMBSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3(6(11)12)7(13)5(10)4(9)2-8-7/h3-5,8-10,13H,2H2,1H3,(H,11,12)/t3?,4-,5-,7-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -2.28, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 67341795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).