2-amino-3-methylbutanoic acid;methylcyclopropane

C9H19NO2 — CID 66778248

IUPAC2-amino-3-methylbutanoic acid;methylcyclopropane
SMILESCC(C)C(N)C(=O)O.CC1CC1
InChIInChI=1S/C5H11NO2.C4H8/c1-3(2)4(6)5(7)8;1-4-2-3-4/h3-4H,6H2,1-2H3,(H,7,8);4H,2-3H2,1H3
InChIKeyGFMPXHIEWAGKMM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-3-methylbutanoic acid;methylcyclopropane

2-amino-3-methylbutanoic acid;methylcyclopropane (PubChem CID 66778248) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;methylcyclopropane.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;methylcyclopropane
PubChem CID66778248
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-amino-3-methylbutanoic acid;methylcyclopropane
SMILESCC(C)C(N)C(=O)O.CC1CC1
InChIInChI=1S/C5H11NO2.C4H8/c1-3(2)4(6)5(7)8;1-4-2-3-4/h3-4H,6H2,1-2H3,(H,7,8);4H,2-3H2,1H3
InChIKeyGFMPXHIEWAGKMM-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;methylcyclopropane?
The IUPAC name of 2-amino-3-methylbutanoic acid;methylcyclopropane (CID 66778248) is 2-amino-3-methylbutanoic acid;methylcyclopropane.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;methylcyclopropane?
The canonical SMILES for 2-amino-3-methylbutanoic acid;methylcyclopropane is CC(C)C(N)C(=O)O.CC1CC1.
What is the InChIKey of 2-amino-3-methylbutanoic acid;methylcyclopropane?
The InChIKey is GFMPXHIEWAGKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H8/c1-3(2)4(6)5(7)8;1-4-2-3-4/h3-4H,6H2,1-2H3,(H,7,8);4H,2-3H2,1H3.
What are the key properties of 2-amino-3-methylbutanoic acid;methylcyclopropane?
2-amino-3-methylbutanoic acid;methylcyclopropane has a molecular weight of 173.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;methylcyclopropane is sourced from PubChem (CID 66778248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).