Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate

C₇H₁₄N₂O₄ — CID 155460298

About Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate

Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate (PubChem CID 155460298) has the molecular formula C₇H₁₄N₂O₄ and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate.

Molecular Properties

• Compound Name: Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
• PubChem CID: 155460298
• Molecular Formula: C₇H₁₄N₂O₄
• Molecular Weight: 190.20 g/mol
• Exact Mass: 190.10
• IUPAC Name: methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
• SMILES: COC(=O)[C@@H](C)NC(=O)[C@H](N)CO
• InChI: InChI=1S/C7H14N2O4/c1-4(7(12)13-2)9-6(11)5(8)3-10/h4-5,10H,3,8H2,1-2H3,(H,9,11)/t4-,5-/m1/s1
• InChIKey: VGRRCGOKYUBRQO-RFZPGFLSSA-N
• XLogP: -2.02
• TPSA: 101.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.20
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?

The IUPAC name of Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate (CID 155460298) is methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate.

What is the SMILES notation for Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?

The canonical SMILES for Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@H](N)CO.

What is the InChIKey of Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?

The InChIKey is VGRRCGOKYUBRQO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(7(12)13-2)9-6(11)5(8)3-10/h4-5,10H,3,8H2,1-2H3,(H,9,11)/t4-,5-/m1/s1.

What are the key properties of Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?

Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate has a molecular weight of 190.20 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate is sourced from PubChem (CID 155460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155460298 — identifiers, structure, computed properties (public domain)

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