2-methyl-3-(propan-2-ylamino)butanoic acid

C8H17NO2 — CID 79391925

IUPAC2-methyl-3-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)C(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)9-7(4)6(3)8(10)11/h5-7,9H,1-4H3,(H,10,11)
InChIKeyJLZDZMLHZAMDPB-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-3-(propan-2-ylamino)butanoic acid

2-methyl-3-(propan-2-ylamino)butanoic acid (PubChem CID 79391925) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-3-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(propan-2-ylamino)butanoic acid
PubChem CID79391925
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methyl-3-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)C(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-5(2)9-7(4)6(3)8(10)11/h5-7,9H,1-4H3,(H,10,11)
InChIKeyJLZDZMLHZAMDPB-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propan-2-ylamino)butanoic acid?
The IUPAC name of 2-methyl-3-(propan-2-ylamino)butanoic acid (CID 79391925) is 2-methyl-3-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-3-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-3-(propan-2-ylamino)butanoic acid is CC(C)NC(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(propan-2-ylamino)butanoic acid?
The InChIKey is JLZDZMLHZAMDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)9-7(4)6(3)8(10)11/h5-7,9H,1-4H3,(H,10,11).
What are the key properties of 2-methyl-3-(propan-2-ylamino)butanoic acid?
2-methyl-3-(propan-2-ylamino)butanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 79391925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).