4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid

C11H22N2O3 — CID 79811550

IUPAC4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
SMILESCCC(C)(N)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(4,12)9(16)13-10(2,3)7-6-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyFCCSVUSXRJADLO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds6

About 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid

4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid (PubChem CID 79811550) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
PubChem CID79811550
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
SMILESCCC(C)(N)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(4,12)9(16)13-10(2,3)7-6-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyFCCSVUSXRJADLO-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

4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 79811017
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-amino-4-methylpentanoic acid
CID 158438218
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid (CID 79811550) is 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid is CCC(C)(N)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid?
The InChIKey is FCCSVUSXRJADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-11(4,12)9(16)13-10(2,3)7-6-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid?
4-[(2-amino-2-methylbutanoyl)amino]-4-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 4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79811550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).