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

C7H13NO5 — CID 67341797

IUPAC3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c9-4-3-8-7(13,6(4)12)2-1-5(10)11/h4,6,8-9,12-13H,1-3H2,(H,10,11)/t4-,6-,7-/m1/s1
InChIKeyBBBJNGDUNGLGAL-QPPQHZFASA-N
MW191.18 g/mol
LogP-2.14
Rot. Bonds3

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

3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid (PubChem CID 67341797) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
PubChem CID67341797
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@]1(O)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c9-4-3-8-7(13,6(4)12)2-1-5(10)11/h4,6,8-9,12-13H,1-3H2,(H,10,11)/t4-,6-,7-/m1/s1
InChIKeyBBBJNGDUNGLGAL-QPPQHZFASA-N
XLogP-2.14
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid (CID 67341797) is 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid is O=C(O)CC[C@]1(O)NC[C@@H](O)[C@H]1O.
What is the InChIKey of 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
The InChIKey is BBBJNGDUNGLGAL-QPPQHZFASA-N. The full InChI is InChI=1S/C7H13NO5/c9-4-3-8-7(13,6(4)12)2-1-5(10)11/h4,6,8-9,12-13H,1-3H2,(H,10,11)/t4-,6-,7-/m1/s1.
What are the key properties of 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid?
3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -2.14, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 67341797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).