2,3-bis(methylamino)propanoic acid

C5H12N2O2 — CID 54539295

IUPAC2,3-bis(methylamino)propanoic acid
SMILESCNCC(NC)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-6-3-4(7-2)5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9)
InChIKeyAWNBKWIVRUZDKR-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.12
Rot. Bonds4

About 2,3-bis(methylamino)propanoic acid

2,3-bis(methylamino)propanoic acid (PubChem CID 54539295) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,3-bis(methylamino)propanoic acid.

Molecular Properties

Compound Name2,3-bis(methylamino)propanoic acid
PubChem CID54539295
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2,3-bis(methylamino)propanoic acid
SMILESCNCC(NC)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-6-3-4(7-2)5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9)
InChIKeyAWNBKWIVRUZDKR-UHFFFAOYSA-N
XLogP-1.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
alpha-Amino-beta-methylaminopropionic acid
CID 28558
N-Methyl-L-Alanine
CID 5288725
beta-(N-Methylamino)-L-alanine
CID 105089
Piperazine-2-carboxylic acid
CID 2723758
(2R)-2-(methylamino)propanoic acid
CID 92973
DL-Alanyl-DL-alanine
CID 601
N-Methyl-DL-Alanine
CID 4377
Piperazine-2-carboxylic acid dihydrochloride
CID 2723757
alanyl-D-alanine
CID 96796
(2S)-2-amino-3-acetamidopropanoic acid
CID 12760440

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylamino)propanoic acid?
The IUPAC name of 2,3-bis(methylamino)propanoic acid (CID 54539295) is 2,3-bis(methylamino)propanoic acid.
What is the SMILES notation for 2,3-bis(methylamino)propanoic acid?
The canonical SMILES for 2,3-bis(methylamino)propanoic acid is CNCC(NC)C(=O)O.
What is the InChIKey of 2,3-bis(methylamino)propanoic acid?
The InChIKey is AWNBKWIVRUZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-6-3-4(7-2)5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2,3-bis(methylamino)propanoic acid?
2,3-bis(methylamino)propanoic acid has a molecular weight of 132.16 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylamino)propanoic acid is sourced from PubChem (CID 54539295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).