3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid

C9H16N2O4 — CID 18218237

IUPAC3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyGVUVRRPYYDHHGK-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds4

About 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid

3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid (PubChem CID 18218237) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
PubChem CID18218237
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyGVUVRRPYYDHHGK-UHFFFAOYSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid (CID 18218237) is 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid is CC(O)C(NC(=O)C1CCCN1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The InChIKey is GVUVRRPYYDHHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 18218237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).