2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid

C9H18N2O4 — CID 14059269

IUPAC2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid
SMILESCC(C)(C)OC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-5-6(10)8(14)11-4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyWZXSODYQYFILSL-LURJTMIESA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds5

About 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid

2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid (PubChem CID 14059269) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid
PubChem CID14059269
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid
SMILESCC(C)(C)OC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-5-6(10)8(14)11-4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyWZXSODYQYFILSL-LURJTMIESA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid (CID 14059269) is 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid is CC(C)(C)OC[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid?
The InChIKey is WZXSODYQYFILSL-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-5-6(10)8(14)11-4-7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid?
2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetic acid is sourced from PubChem (CID 14059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).