2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid

C12H24N2O3 — CID 61160084

IUPAC2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)[C@@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8(13)11(2,3)4/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17)/t8-,12?/m1/s1
InChIKeyFZVVTOOGCZIYET-SZSXPDSJSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid

2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid (PubChem CID 61160084) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
PubChem CID61160084
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)[C@@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8(13)11(2,3)4/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17)/t8-,12?/m1/s1
InChIKeyFZVVTOOGCZIYET-SZSXPDSJSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-(2-butylsulfanylpropanoylamino)-2-methylpentanoic acid
CID 119192027
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid (CID 61160084) is 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)[C@@H](N)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid?
The InChIKey is FZVVTOOGCZIYET-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-7-12(5,10(16)17)14-9(15)8(13)11(2,3)4/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17)/t8-,12?/m1/s1.
What are the key properties of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid?
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 61160084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).