2-(2-methylpropylamino)acetic acid

C6H13NO2 — CID 10261121

IUPAC2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyVKZGJEWGVNFKPE-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.32
Rot. Bonds4

About 2-(2-methylpropylamino)acetic acid

2-(2-methylpropylamino)acetic acid (PubChem CID 10261121) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(2-methylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)acetic acid
PubChem CID10261121
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyVKZGJEWGVNFKPE-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)acetic acid?
The IUPAC name of 2-(2-methylpropylamino)acetic acid (CID 10261121) is 2-(2-methylpropylamino)acetic acid.
What is the SMILES notation for 2-(2-methylpropylamino)acetic acid?
The canonical SMILES for 2-(2-methylpropylamino)acetic acid is CC(C)CNCC(=O)O.
What is the InChIKey of 2-(2-methylpropylamino)acetic acid?
The InChIKey is VKZGJEWGVNFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methylpropylamino)acetic acid?
2-(2-methylpropylamino)acetic acid has a molecular weight of 131.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)acetic acid is sourced from PubChem (CID 10261121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).