2-amino-3-(methylamino)propanoic acid

C4H10N2O2 — CID 28558

IUPAC2-amino-3-(methylamino)propanoic acid
SMILESCNCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)
InChIKeyUJVHVMNGOZXSOZ-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.38
Rot. Bonds3

About 2-amino-3-(methylamino)propanoic acid

2-amino-3-(methylamino)propanoic acid (PubChem CID 28558) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-amino-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(methylamino)propanoic acid
PubChem CID28558
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2-amino-3-(methylamino)propanoic acid
SMILESCNCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)
InChIKeyUJVHVMNGOZXSOZ-UHFFFAOYSA-N
XLogP-1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)propanoic acid?
The IUPAC name of 2-amino-3-(methylamino)propanoic acid (CID 28558) is 2-amino-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(methylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(methylamino)propanoic acid is CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(methylamino)propanoic acid?
The InChIKey is UJVHVMNGOZXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-(methylamino)propanoic acid?
2-amino-3-(methylamino)propanoic acid has a molecular weight of 118.14 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)propanoic acid is sourced from PubChem (CID 28558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).