(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid

C11H20N2O6 — CID 14657687

IUPAC(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(9(16)17)12-8(15)7(5-14)13-10(18)19-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t6-,7-/m0/s1
InChIKeyFOLZQCQUJFBHPD-BQBZGAKWSA-N
MW276.29 g/mol
LogP-0.54
Rot. Bonds5

About (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid

(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid (PubChem CID 14657687) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
PubChem CID14657687
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(9(16)17)12-8(15)7(5-14)13-10(18)19-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t6-,7-/m0/s1
InChIKeyFOLZQCQUJFBHPD-BQBZGAKWSA-N
XLogP-0.54
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid (CID 14657687) is (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid?
The InChIKey is FOLZQCQUJFBHPD-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-6(9(16)17)12-8(15)7(5-14)13-10(18)19-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 14657687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).