4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid

C10H16N2O3 — CID 115122693

IUPAC4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCC(O)CNCc1ccc[nH]1
InChIInChI=1S/C10H16N2O3/c13-9(3-4-10(14)15)7-11-6-8-2-1-5-12-8/h1-2,5,9,11-13H,3-4,6-7H2,(H,14,15)
InChIKeySFQSRYQCTYWONT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.33
Rot. Bonds7

About 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid

4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid (PubChem CID 115122693) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
PubChem CID115122693
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCC(O)CNCc1ccc[nH]1
InChIInChI=1S/C10H16N2O3/c13-9(3-4-10(14)15)7-11-6-8-2-1-5-12-8/h1-2,5,9,11-13H,3-4,6-7H2,(H,14,15)
InChIKeySFQSRYQCTYWONT-UHFFFAOYSA-N
XLogP0.33
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid?
The IUPAC name of 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid (CID 115122693) is 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid?
The canonical SMILES for 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid is O=C(O)CCC(O)CNCc1ccc[nH]1.
What is the InChIKey of 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid?
The InChIKey is SFQSRYQCTYWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(3-4-10(14)15)7-11-6-8-2-1-5-12-8/h1-2,5,9,11-13H,3-4,6-7H2,(H,14,15).
What are the key properties of 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid?
4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 115122693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).