tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride

C41H73ClN6O13 — CID 167626108

About tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride

tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride (PubChem CID 167626108) has the molecular formula C41H73ClN6O13 and a molecular weight of 893.52 g/mol. Its IUPAC name is tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride
• PubChem CID: 167626108
• Molecular Formula: C41H73ClN6O13
• Molecular Weight: 893.52 g/mol
• Exact Mass: 892.49
• IUPAC Name: tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)C(C)(C)N.CC(C)(C)OC(=O)C(C)(C)NC(=O)CN1CCCCC1=O.CC(C)(NC(=O)CN1CCCCC1=O)C(=O)O.Cl.O=C(O)CN1CCCCC1=O
• InChI: InChI=1S/C15H26N2O4.C11H18N2O4.C8H17NO2.C7H11NO3.ClH/c1-14(2,3)21-13(20)15(4,5)16-11(18)10-17-9-7-6-8-12(17)19;1-11(2,10(16)17)12-8(14)7-13-6-4-3-5-9(13)15;1-7(2,3)11-6(10)8(4,5)9;9-6-3-1-2-4-8(6)5-7(10)11;/h6-10H2,1-5H3,(H,16,18);3-7H2,1-2H3,(H,12,14)(H,16,17);9H2,1-5H3;1-5H2,(H,10,11);1H
• InChIKey: ORLOOFZJJAQBIQ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 272.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.52
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride?

The IUPAC name of tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride (CID 167626108) is tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride.

What is the SMILES notation for tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride?

The canonical SMILES for tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride is CC(C)(C)OC(=O)C(C)(C)N.CC(C)(C)OC(=O)C(C)(C)NC(=O)CN1CCCCC1=O.CC(C)(NC(=O)CN1CCCCC1=O)C(=O)O.Cl.O=C(O)CN1CCCCC1=O.

What is the InChIKey of tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride?

The InChIKey is ORLOOFZJJAQBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4.C11H18N2O4.C8H17NO2.C7H11NO3.ClH/c1-14(2,3)21-13(20)15(4,5)16-11(18)10-17-9-7-6-8-12(17)19;1-11(2,10(16)17)12-8(14)7-13-6-4-3-5-9(13)15;1-7(2,3)11-6(10)8(4,5)9;9-6-3-1-2-4-8(6)5-7(10)11;/h6-10H2,1-5H3,(H,16,18);3-7H2,1-2H3,(H,12,14)(H,16,17);9H2,1-5H3;1-5H2,(H,10,11);1H.

What are the key properties of tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride?

tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride has a molecular weight of 893.52 g/mol, XLogP of 2.78, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-amino-2-methylpropanoate;tert-butyl 2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoate;2-methyl-2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;2-(2-oxopiperidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 167626108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).