2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide

C9H16N4O — CID 43695457

IUPAC2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)N
InChIInChI=1S/C9H16N4O/c1-7(12-9(14)8(2)10)5-13-4-3-11-6-13/h3-4,6-8H,5,10H2,1-2H3,(H,12,14)
InChIKeyZCRVTKBZUCQSKF-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds4

About 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide

2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide (PubChem CID 43695457) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
PubChem CID43695457
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)N
InChIInChI=1S/C9H16N4O/c1-7(12-9(14)8(2)10)5-13-4-3-11-6-13/h3-4,6-8H,5,10H2,1-2H3,(H,12,14)
InChIKeyZCRVTKBZUCQSKF-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
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
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675
N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
CID 54959136
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide (CID 43695457) is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide is CC(Cn1ccnc1)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The InChIKey is ZCRVTKBZUCQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(12-9(14)8(2)10)5-13-4-3-11-6-13/h3-4,6-8H,5,10H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 43695457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).