(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid

C13H26N2O3 — CID 113353116

IUPAC(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(N)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)8(14)7-9(16)15-10(11(17)18)13(4,5)6/h8,10H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,10-/m0/s1
InChIKeySBQZVTOXUZYIOT-HTLJXXAVSA-N
MW258.36 g/mol
LogP1.37
Rot. Bonds4

About (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 113353116) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID113353116
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(N)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)8(14)7-9(16)15-10(11(17)18)13(4,5)6/h8,10H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,10-/m0/s1
InChIKeySBQZVTOXUZYIOT-HTLJXXAVSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2R)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927284
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid (CID 113353116) is (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(N)CC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is SBQZVTOXUZYIOT-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)8(14)7-9(16)15-10(11(17)18)13(4,5)6/h8,10H,7,14H2,1-6H3,(H,15,16)(H,17,18)/t8?,10-/m0/s1.
What are the key properties of (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).