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

C14H18N4O — CID 8022440

IUPAC(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyAZFVDRVLEHZFNZ-ZDUSSCGKSA-N
MW258.32 g/mol
LogP0.64
Rot. Bonds6

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

(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (PubChem CID 8022440) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
PubChem CID8022440
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyAZFVDRVLEHZFNZ-ZDUSSCGKSA-N
XLogP0.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.64
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-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (CID 8022440) is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The InChIKey is AZFVDRVLEHZFNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 8022440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).