(2R)-2-amino-3-imidazol-1-ylpropanoic acid

C6H9N3O2 — CID 53486421

IUPAC(2R)-2-amino-3-imidazol-1-ylpropanoic acid
SMILESN[C@H](Cn1ccnc1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
InChIKeyFWBXNMSLCRNZOV-RXMQYKEDSA-N
MW155.16 g/mol
LogP-0.70
Rot. Bonds3

About (2R)-2-amino-3-imidazol-1-ylpropanoic acid

(2R)-2-amino-3-imidazol-1-ylpropanoic acid (PubChem CID 53486421) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2R)-2-amino-3-imidazol-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-imidazol-1-ylpropanoic acid
PubChem CID53486421
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2R)-2-amino-3-imidazol-1-ylpropanoic acid
SMILESN[C@H](Cn1ccnc1)C(=O)O
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
InChIKeyFWBXNMSLCRNZOV-RXMQYKEDSA-N
XLogP-0.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-imidazol-1-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-imidazol-1-ylpropanoic acid (CID 53486421) is (2R)-2-amino-3-imidazol-1-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-imidazol-1-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-imidazol-1-ylpropanoic acid is N[C@H](Cn1ccnc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-imidazol-1-ylpropanoic acid?
The InChIKey is FWBXNMSLCRNZOV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-3-imidazol-1-ylpropanoic acid?
(2R)-2-amino-3-imidazol-1-ylpropanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-imidazol-1-ylpropanoic acid is sourced from PubChem (CID 53486421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).