(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C11H22N2O4 — CID 59166454

IUPAC(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyYEKMUOMXRLSQDM-QMMMGPOBSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds5

About (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 59166454) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID59166454
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyYEKMUOMXRLSQDM-QMMMGPOBSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic 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 (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 59166454) is (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is YEKMUOMXRLSQDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 59166454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).