(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid

C7H10N2O3 — CID 130666351

IUPAC(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(O)[nH]1
InChIInChI=1S/C7H10N2O3/c8-4(3-7(11)12)5-1-2-6(10)9-5/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m1/s1
InChIKeyUFMINTXMXHJZQF-SCSAIBSYSA-N
MW170.17 g/mol
LogP0.19
Rot. Bonds3

About (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid

(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid (PubChem CID 130666351) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid
PubChem CID130666351
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(O)[nH]1
InChIInChI=1S/C7H10N2O3/c8-4(3-7(11)12)5-1-2-6(10)9-5/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m1/s1
InChIKeyUFMINTXMXHJZQF-SCSAIBSYSA-N
XLogP0.19
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid (CID 130666351) is (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid is N[C@H](CC(=O)O)c1ccc(O)[nH]1.
What is the InChIKey of (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid?
The InChIKey is UFMINTXMXHJZQF-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-4(3-7(11)12)5-1-2-6(10)9-5/h1-2,4,9-10H,3,8H2,(H,11,12)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid?
(3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-hydroxy-1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 130666351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).