(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid

C12H13N3O2 — CID 72723427

IUPAC(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1[nH]cnc1-c1ccccc1)C(=O)O
InChIInChI=1S/C12H13N3O2/c13-9(12(16)17)6-10-11(15-7-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyFSMBPRRAGRWJGM-VIFPVBQESA-N
MW231.26 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid

(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid (PubChem CID 72723427) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid
PubChem CID72723427
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid
SMILESN[C@@H](Cc1[nH]cnc1-c1ccccc1)C(=O)O
InChIInChI=1S/C12H13N3O2/c13-9(12(16)17)6-10-11(15-7-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyFSMBPRRAGRWJGM-VIFPVBQESA-N
XLogP1.03
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid (CID 72723427) is (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid is N[C@@H](Cc1[nH]cnc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is FSMBPRRAGRWJGM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O2/c13-9(12(16)17)6-10-11(15-7-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,13H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid?
(2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 231.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-phenyl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 72723427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).