(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide

C12H22N4O — CID 61155803

IUPAC(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-9(2)6-11(13)12(17)15-10(3)7-16-5-4-14-8-16/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyVVSQTLKZFHGHSI-DTIOYNMSSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds6

About (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide (PubChem CID 61155803) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
PubChem CID61155803
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-9(2)6-11(13)12(17)15-10(3)7-16-5-4-14-8-16/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyVVSQTLKZFHGHSI-DTIOYNMSSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
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
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119958004
1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115583371
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide (CID 61155803) is (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide?
The InChIKey is VVSQTLKZFHGHSI-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)6-11(13)12(17)15-10(3)7-16-5-4-14-8-16/h4-5,8-11H,6-7,13H2,1-3H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide has a molecular weight of 238.33 g/mol, XLogP of 0.76, 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)-4-methylpentanamide is sourced from PubChem (CID 61155803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).