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

C8H14N2O4 — CID 18218236

IUPAC3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(O)C(CO)NC(=O)C1CCCN1
InChIInChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)
InChIKeyAFWBWPCXSWUCLB-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.70
Rot. Bonds4

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

3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid (PubChem CID 18218236) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
PubChem CID18218236
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(O)C(CO)NC(=O)C1CCCN1
InChIInChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)
InChIKeyAFWBWPCXSWUCLB-UHFFFAOYSA-N
XLogP-1.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.70
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)propanoic acid?
The IUPAC name of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid (CID 18218236) is 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid is O=C(O)C(CO)NC(=O)C1CCCN1.
What is the InChIKey of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The InChIKey is AFWBWPCXSWUCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14).
What are the key properties of 3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.70, 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)propanoic acid is sourced from PubChem (CID 18218236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).