3-(2-aminopentanoylamino)-3-methylbutanoic acid

C10H20N2O3 — CID 64683906

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

About 3-(2-aminopentanoylamino)-3-methylbutanoic acid

3-(2-aminopentanoylamino)-3-methylbutanoic acid (PubChem CID 64683906) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-aminopentanoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-aminopentanoylamino)-3-methylbutanoic acid
PubChem CID64683906
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(2-aminopentanoylamino)-3-methylbutanoic acid
SMILESCCCC(N)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-7(11)9(15)12-10(2,3)6-8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyKDARPRZCRLZLRJ-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentanoylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(2-aminopentanoylamino)-3-methylbutanoic acid (CID 64683906) is 3-(2-aminopentanoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2-aminopentanoylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(2-aminopentanoylamino)-3-methylbutanoic acid is CCCC(N)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-(2-aminopentanoylamino)-3-methylbutanoic acid?
The InChIKey is KDARPRZCRLZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-7(11)9(15)12-10(2,3)6-8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 3-(2-aminopentanoylamino)-3-methylbutanoic acid?
3-(2-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-(2-aminopentanoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64683906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).