3-[[(2S)-2-aminopropanoyl]amino]propanoic acid

C6H12N2O3 — CID 14602335

IUPAC3-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyLHMWTJPMNYKPGC-BYPYZUCNSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds4

About 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid

3-[[(2S)-2-aminopropanoyl]amino]propanoic acid (PubChem CID 14602335) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-aminopropanoyl]amino]propanoic acid
PubChem CID14602335
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-[[(2S)-2-aminopropanoyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyLHMWTJPMNYKPGC-BYPYZUCNSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid (CID 14602335) is 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid is C[C@H](N)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
The InChIKey is LHMWTJPMNYKPGC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1.
What are the key properties of 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid?
3-[[(2S)-2-aminopropanoyl]amino]propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 14602335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).