(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide

C11H20N4O — CID 61326563

IUPAC(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)14-5-7-15-6-4-13-8-15/h4,6,8-10H,3,5,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyGSJVCWRYWKUQSV-AXDSSHIGSA-N
MW224.31 g/mol
LogP0.37
Rot. Bonds6

About (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide

(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide (PubChem CID 61326563) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
PubChem CID61326563
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)14-5-7-15-6-4-13-8-15/h4,6,8-10H,3,5,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyGSJVCWRYWKUQSV-AXDSSHIGSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962087
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-methylpentanethioamide
CID 87554180
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
2-imidazol-1-ylethylurea
CID 61061185
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide (CID 61326563) is (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCCn1ccnc1.
What is the InChIKey of (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide?
The InChIKey is GSJVCWRYWKUQSV-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)14-5-7-15-6-4-13-8-15/h4,6,8-10H,3,5,7,12H2,1-2H3,(H,14,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.37, 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-(2-imidazol-1-ylethyl)-3-methylpentanamide is sourced from PubChem (CID 61326563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).