(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C8H14N2O5 — CID 25227054

IUPAC(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1
InChIKeyIISAHBYOIFITKV-SRQIZXRXSA-N
MW218.21 g/mol
LogP-2.65
Rot. Bonds3

About (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 25227054) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID25227054
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1
InChIKeyIISAHBYOIFITKV-SRQIZXRXSA-N
XLogP-2.65
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 25227054) is (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is N[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is IISAHBYOIFITKV-SRQIZXRXSA-N. The full InChI is InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of -2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 25227054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).