methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

C17H24N2O5 — CID 11142271

IUPACmethyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-16(2,13(20)18-17(3,4)14(21)23-5)19-15(22)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyRYEMAYKBOUBRKU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.76
Rot. Bonds6

About methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate (PubChem CID 11142271) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
PubChem CID11142271
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-16(2,13(20)18-17(3,4)14(21)23-5)19-15(22)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyRYEMAYKBOUBRKU-UHFFFAOYSA-N
XLogP1.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate (CID 11142271) is methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The InChIKey is RYEMAYKBOUBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-16(2,13(20)18-17(3,4)14(21)23-5)19-15(22)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,20)(H,19,22).
What are the key properties of methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate has a molecular weight of 336.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate is sourced from PubChem (CID 11142271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).