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

C8H14N2O4 — CID 107835954

IUPAC(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)C1CCNC1
InChIInChI=1S/C8H14N2O4/c11-6(8(13)14)4-10-7(12)5-1-2-9-3-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyFQALACNCYRBNGU-GDVGLLTNSA-N
MW202.21 g/mol
LogP-1.84
Rot. Bonds4

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

(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid (PubChem CID 107835954) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
PubChem CID107835954
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)C1CCNC1
InChIInChI=1S/C8H14N2O4/c11-6(8(13)14)4-10-7(12)5-1-2-9-3-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyFQALACNCYRBNGU-GDVGLLTNSA-N
XLogP-1.84
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 ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid (CID 107835954) is (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid is O=C(NC[C@H](O)C(=O)O)C1CCNC1.
What is the InChIKey of (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid?
The InChIKey is FQALACNCYRBNGU-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-6(8(13)14)4-10-7(12)5-1-2-9-3-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid?
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 107835954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).