(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide

C12H14N4O — CID 110837669

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c13-11(6-10-7-14-8-15-10)12(17)16-9-4-2-1-3-5-9/h1-5,7-8,11H,6,13H2,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyJKIGFJDHEPWDAK-NSHDSACASA-N
MW230.27 g/mol
LogP0.92
Rot. Bonds4

About (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide (PubChem CID 110837669) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide
PubChem CID110837669
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c13-11(6-10-7-14-8-15-10)12(17)16-9-4-2-1-3-5-9/h1-5,7-8,11H,6,13H2,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyJKIGFJDHEPWDAK-NSHDSACASA-N
XLogP0.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.92
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-(1H-imidazol-5-yl)-N-phenylpropanamide?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide (CID 110837669) is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide is N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide?
The InChIKey is JKIGFJDHEPWDAK-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4O/c13-11(6-10-7-14-8-15-10)12(17)16-9-4-2-1-3-5-9/h1-5,7-8,11H,6,13H2,(H,14,15)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide?
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-phenylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 0.92, 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-(1H-imidazol-5-yl)-N-phenylpropanamide is sourced from PubChem (CID 110837669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).