(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid

C8H14N2O4 — CID 61188583

IUPAC(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O4/c11-5-6(7(12)13)9-8(14)10-3-1-2-4-10/h6,11H,1-5H2,(H,9,14)(H,12,13)/t6-/m0/s1
InChIKeyWGRRSLWDTWADOD-LURJTMIESA-N
MW202.21 g/mol
LogP-0.76
Rot. Bonds3

About (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid

(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid (PubChem CID 61188583) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid
PubChem CID61188583
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O4/c11-5-6(7(12)13)9-8(14)10-3-1-2-4-10/h6,11H,1-5H2,(H,9,14)(H,12,13)/t6-/m0/s1
InChIKeyWGRRSLWDTWADOD-LURJTMIESA-N
XLogP-0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid (CID 61188583) is (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid is O=C(O)[C@H](CO)NC(=O)N1CCCC1.
What is the InChIKey of (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The InChIKey is WGRRSLWDTWADOD-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c11-5-6(7(12)13)9-8(14)10-3-1-2-4-10/h6,11H,1-5H2,(H,9,14)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid?
(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 61188583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).