2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C11H20N2O6 — CID 18597245

IUPAC2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC[C@H](N)C(=O)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)13(5-8(14)15)9(16)7(12)6-18-4/h7H,5-6,12H2,1-4H3,(H,14,15)/t7-/m0/s1
InChIKeyPUNWASHEVHQZRI-ZETCQYMHSA-N
MW276.29 g/mol
LogP-0.19
Rot. Bonds5

About 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 18597245) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID18597245
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCOC[C@H](N)C(=O)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)13(5-8(14)15)9(16)7(12)6-18-4/h7H,5-6,12H2,1-4H3,(H,14,15)/t7-/m0/s1
InChIKeyPUNWASHEVHQZRI-ZETCQYMHSA-N
XLogP-0.19
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 18597245) is 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is COC[C@H](N)C(=O)N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is PUNWASHEVHQZRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)13(5-8(14)15)9(16)7(12)6-18-4/h7H,5-6,12H2,1-4H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 276.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-methoxypropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 18597245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).