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

C11H20N4O — CID 65232379

IUPAC(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-5-4-8-6-13-7-15-8/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyIUQJDTJWEAGYJG-SECBINFHSA-N
MW224.31 g/mol
LogP0.44
Rot. Bonds4

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

(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 65232379) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID65232379
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-5-4-8-6-13-7-15-8/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyIUQJDTJWEAGYJG-SECBINFHSA-N
XLogP0.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2,4-trimethylpentanoic acid
CID 126647448
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
CID 65232146
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
CID 59900869
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide (CID 65232379) is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is IUQJDTJWEAGYJG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-5-4-8-6-13-7-15-8/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.44, 4 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 65232379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).