(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid

C8H14N2O5 — CID 166633128

IUPAC(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6-/m0/s1
InChIKeyUVSBYUFDCGZIMR-JKUQZMGJSA-N
MW218.21 g/mol
LogP-2.73
Rot. Bonds4

About (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 166633128) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID166633128
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6-/m0/s1
InChIKeyUVSBYUFDCGZIMR-JKUQZMGJSA-N
XLogP-2.73
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

Cyclo-trans-4-L-Hydroxyprolyl-L-serine
CID 9815587
Seryl-proline
CID 4369021
Proline Serine dipeptide
CID 18218236
(2S)-1-[(2S)-2-azaniumyl-3-hydroxypropanoyl]pyrrolidine-2-carboxylate
CID 7408094
(4r)-1-Acetyl-4-Hydroxy-N-Methyl-L-Prolinamide
CID 10797632
Gly-Hyp-Glu
CID 11902976
(2S)-3-hydroxy-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
CID 10198309
Prolyl-serine
CID 7408258
Leucyl-4-hydroxyproline
CID 21777566
(2R)-3-hydroxy-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
CID 166632019
(2R)-3-hydroxy-2-[[(2R,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
CID 166628854
(2R)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
CID 166632395

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid (CID 166633128) is (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid is O=C(O)[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is UVSBYUFDCGZIMR-JKUQZMGJSA-N. The full InChI is InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -2.73, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166633128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).