3-(4-aminopentanoylamino)-3-methylbutanoic acid

C10H20N2O3 — CID 64683706

IUPAC3-(4-aminopentanoylamino)-3-methylbutanoic acid
SMILESCC(N)CCC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(11)4-5-8(13)12-10(2,3)6-9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJFXXSPWHYDNQBF-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds6

About 3-(4-aminopentanoylamino)-3-methylbutanoic acid

3-(4-aminopentanoylamino)-3-methylbutanoic acid (PubChem CID 64683706) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-aminopentanoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-aminopentanoylamino)-3-methylbutanoic acid
PubChem CID64683706
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(4-aminopentanoylamino)-3-methylbutanoic acid
SMILESCC(N)CCC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(11)4-5-8(13)12-10(2,3)6-9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJFXXSPWHYDNQBF-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
4-aminopentanoic acid;ethane
CID 143436801
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
CID 64670496
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopentanoylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(4-aminopentanoylamino)-3-methylbutanoic acid (CID 64683706) is 3-(4-aminopentanoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(4-aminopentanoylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(4-aminopentanoylamino)-3-methylbutanoic acid is CC(N)CCC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-(4-aminopentanoylamino)-3-methylbutanoic acid?
The InChIKey is JFXXSPWHYDNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(11)4-5-8(13)12-10(2,3)6-9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-(4-aminopentanoylamino)-3-methylbutanoic acid?
3-(4-aminopentanoylamino)-3-methylbutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopentanoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64683706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).