(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide

C13H15FN4O — CID 83325814

IUPAC(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c14-10-3-1-9(2-4-10)6-17-13(19)12(15)5-11-7-16-8-18-11/h1-4,7-8,12H,5-6,15H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyGAQZQIFBTJYVDM-LBPRGKRZSA-N
MW262.29 g/mol
LogP0.74
Rot. Bonds5

About (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide

(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 83325814) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID83325814
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c14-10-3-1-9(2-4-10)6-17-13(19)12(15)5-11-7-16-8-18-11/h1-4,7-8,12H,5-6,15H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyGAQZQIFBTJYVDM-LBPRGKRZSA-N
XLogP0.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide (CID 83325814) is (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide is N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is GAQZQIFBTJYVDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-10-3-1-9(2-4-10)6-17-13(19)12(15)5-11-7-16-8-18-11/h1-4,7-8,12H,5-6,15H2,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 262.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 83325814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).