(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid

C7H13NO3 — CID 118182045

IUPAC(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@H]1CNC[C@H]1O
InChIInChI=1S/C7H13NO3/c1-4(7(10)11)5-2-8-3-6(5)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,6+/m0/s1
InChIKeyZJAZFHOWMYBZDM-KVQBGUIXSA-N
MW159.18 g/mol
LogP-0.71
Rot. Bonds2

About (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid

(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid (PubChem CID 118182045) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid
PubChem CID118182045
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid
SMILESC[C@H](C(=O)O)[C@H]1CNC[C@H]1O
InChIInChI=1S/C7H13NO3/c1-4(7(10)11)5-2-8-3-6(5)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,6+/m0/s1
InChIKeyZJAZFHOWMYBZDM-KVQBGUIXSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid (CID 118182045) is (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid is C[C@H](C(=O)O)[C@H]1CNC[C@H]1O.
What is the InChIKey of (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid?
The InChIKey is ZJAZFHOWMYBZDM-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(7(10)11)5-2-8-3-6(5)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,6+/m0/s1.
What are the key properties of (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid?
(2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid has a molecular weight of 159.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S,4S)-4-hydroxypyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 118182045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).