(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C10H18N2O5 — CID 45270113

IUPAC(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15)/t7-/m1/s1
InChIKeyLGXBAZHIKJUSCY-SSDOTTSWSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds4

About (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 45270113) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID45270113
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15)/t7-/m1/s1
InChIKeyLGXBAZHIKJUSCY-SSDOTTSWSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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 (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 45270113) is (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is LGXBAZHIKJUSCY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(13)11-5-7(8(14)15)12-9(16)17-10(2,3)4/h7H,5H2,1-4H3,(H,11,13)(H,12,16)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 45270113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).