2-[methyl(2-methylpentan-3-yl)amino]acetic acid

C9H19NO2 — CID 65056587

IUPAC2-[methyl(2-methylpentan-3-yl)amino]acetic acid
SMILESCCC(C(C)C)N(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-8(7(2)3)10(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyMFCYSAJUVOWAMK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds5

About 2-[methyl(2-methylpentan-3-yl)amino]acetic acid

2-[methyl(2-methylpentan-3-yl)amino]acetic acid (PubChem CID 65056587) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[methyl(2-methylpentan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-methylpentan-3-yl)amino]acetic acid
PubChem CID65056587
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[methyl(2-methylpentan-3-yl)amino]acetic acid
SMILESCCC(C(C)C)N(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-8(7(2)3)10(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyMFCYSAJUVOWAMK-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpentan-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-methylpentan-3-yl)amino]acetic acid (CID 65056587) is 2-[methyl(2-methylpentan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-methylpentan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-methylpentan-3-yl)amino]acetic acid is CCC(C(C)C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(2-methylpentan-3-yl)amino]acetic acid?
The InChIKey is MFCYSAJUVOWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(7(2)3)10(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[methyl(2-methylpentan-3-yl)amino]acetic acid?
2-[methyl(2-methylpentan-3-yl)amino]acetic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpentan-3-yl)amino]acetic acid is sourced from PubChem (CID 65056587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).