(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide

C13H16N4O — CID 104984386

IUPAC(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-11(7-6-10-4-2-1-3-5-10)12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18)/t11-/m0/s1
InChIKeyFNWCLHPLOXOZHV-NSHDSACASA-N
MW244.30 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide

(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide (PubChem CID 104984386) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
PubChem CID104984386
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-11(7-6-10-4-2-1-3-5-10)12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18)/t11-/m0/s1
InChIKeyFNWCLHPLOXOZHV-NSHDSACASA-N
XLogP1.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
CID 104984888
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 63563168
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
N-(1H-imidazol-2-yl)-2-phenylbutanamide
CID 60967236
(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
CID 104984683
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
CID 15516535
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide (CID 104984386) is (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1ncc[nH]1.
What is the InChIKey of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The InChIKey is FNWCLHPLOXOZHV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O/c14-11(7-6-10-4-2-1-3-5-10)12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide has a molecular weight of 244.30 g/mol, XLogP of 1.31, 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-(1H-imidazol-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).