(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide

C15H28N4O — CID 61155448

IUPAC(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H28N4O/c1-6-11(2)13(16)14(20)18-12(15(3,4)5)9-19-8-7-17-10-19/h7-8,10-13H,6,9,16H2,1-5H3,(H,18,20)/t11-,12?,13-/m0/s1
InChIKeyIPOMIJROCIUGCS-RXTYADHFSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds6

About (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide

(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide (PubChem CID 61155448) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
PubChem CID61155448
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H28N4O/c1-6-11(2)13(16)14(20)18-12(15(3,4)5)9-19-8-7-17-10-19/h7-8,10-13H,6,9,16H2,1-5H3,(H,18,20)/t11-,12?,13-/m0/s1
InChIKeyIPOMIJROCIUGCS-RXTYADHFSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide (CID 61155448) is (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide?
The InChIKey is IPOMIJROCIUGCS-RXTYADHFSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-11(2)13(16)14(20)18-12(15(3,4)5)9-19-8-7-17-10-19/h7-8,10-13H,6,9,16H2,1-5H3,(H,18,20)/t11-,12?,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide has a molecular weight of 280.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 61155448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).