(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide

C11H20N4O — CID 107568307

IUPAC(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-4-10(12)11(16)14-9(2)7-15-6-5-13-8-15/h5-6,8-10H,3-4,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyDXILIYGNMSSOHU-AXDSSHIGSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

About (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide (PubChem CID 107568307) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
PubChem CID107568307
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-4-10(12)11(16)14-9(2)7-15-6-5-13-8-15/h5-6,8-10H,3-4,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyDXILIYGNMSSOHU-AXDSSHIGSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 55208182
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 43695389
1-imidazol-1-ylpentan-2-amine
CID 62041882
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119958004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide (CID 107568307) is (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide is CCC[C@H](N)C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The InChIKey is DXILIYGNMSSOHU-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-10(12)11(16)14-9(2)7-15-6-5-13-8-15/h5-6,8-10H,3-4,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 107568307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).