2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid

C11H22N2O3 — CID 79805177

IUPAC2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)(N)CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-11(4,9(15)16)13-8(14)10(3,12)6-2/h5-7,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyFGUQZFANANMHHJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds6

About 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid

2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid (PubChem CID 79805177) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
PubChem CID79805177
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)(N)CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-11(4,9(15)16)13-8(14)10(3,12)6-2/h5-7,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyFGUQZFANANMHHJ-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
CID 79811550
2-methyl-2-(2-methylbutan-2-ylamino)pentanoic acid
CID 114987745
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid (CID 79805177) is 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C(C)(N)CC)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid?
The InChIKey is FGUQZFANANMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-11(4,9(15)16)13-8(14)10(3,12)6-2/h5-7,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid?
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 79805177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).