2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide

C14H29N3O2 — CID 103928611

IUPAC2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)[C@H](N)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)8-10(13(19)17(6)7)16-12(18)11(15)14(3,4)5/h9-11H,8,15H2,1-7H3,(H,16,18)/t10?,11-/m0/s1
InChIKeyGZIKQLSEIDWJBC-DTIOYNMSSA-N
MW271.40 g/mol
LogP0.98
Rot. Bonds5

About 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide (PubChem CID 103928611) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
PubChem CID103928611
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)[C@H](N)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)8-10(13(19)17(6)7)16-12(18)11(15)14(3,4)5/h9-11H,8,15H2,1-7H3,(H,16,18)/t10?,11-/m0/s1
InChIKeyGZIKQLSEIDWJBC-DTIOYNMSSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
CID 115426173
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
CID 62852895
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 61068823
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide (CID 103928611) is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(=O)[C@H](N)C(C)(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide?
The InChIKey is GZIKQLSEIDWJBC-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-9(2)8-10(13(19)17(6)7)16-12(18)11(15)14(3,4)5/h9-11H,8,15H2,1-7H3,(H,16,18)/t10?,11-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide?
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 103928611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).