3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid

C6H13N3O3 — CID 11949364

IUPAC3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESNC[C@H](N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H13N3O3/c7-3-4(8)6(12)9-2-1-5(10)11/h4H,1-3,7-8H2,(H,9,12)(H,10,11)/t4-/m0/s1
InChIKeyIZNQMKPUBKCTBN-BYPYZUCNSA-N
MW175.19 g/mol
LogP-2.14
Rot. Bonds5

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

3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (PubChem CID 11949364) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
PubChem CID11949364
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESNC[C@H](N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H13N3O3/c7-3-4(8)6(12)9-2-1-5(10)11/h4H,1-3,7-8H2,(H,9,12)(H,10,11)/t4-/m0/s1
InChIKeyIZNQMKPUBKCTBN-BYPYZUCNSA-N
XLogP-2.14
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (CID 11949364) is 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is NC[C@H](N)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The InChIKey is IZNQMKPUBKCTBN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-3-4(8)6(12)9-2-1-5(10)11/h4H,1-3,7-8H2,(H,9,12)(H,10,11)/t4-/m0/s1.
What are the key properties of 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid has a molecular weight of 175.19 g/mol, XLogP of -2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 11949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).