2-(2-aminopropanoylamino)propanoic acid

C6H12N2O3 — CID 601

IUPAC2-(2-aminopropanoylamino)propanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyDEFJQIDDEAULHB-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds3

About 2-(2-aminopropanoylamino)propanoic acid

2-(2-aminopropanoylamino)propanoic acid (PubChem CID 601) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)propanoic acid
PubChem CID601
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(2-aminopropanoylamino)propanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyDEFJQIDDEAULHB-UHFFFAOYSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)propanoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)propanoic acid (CID 601) is 2-(2-aminopropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)propanoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)propanoic acid is CC(N)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)propanoic acid?
The InChIKey is DEFJQIDDEAULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(2-aminopropanoylamino)propanoic acid?
2-(2-aminopropanoylamino)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)propanoic acid is sourced from PubChem (CID 601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).