methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate

C17H24N2O5 — CID 11461823

IUPACmethyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1OC(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1
InChIKeyCBOZAYOJXPZBCB-NSHDSACASA-N
MW336.39 g/mol
LogP1.47
Rot. Bonds6

About methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate

methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate (PubChem CID 11461823) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
PubChem CID11461823
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1OC(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1
InChIKeyCBOZAYOJXPZBCB-NSHDSACASA-N
XLogP1.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate (CID 11461823) is methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1OC(C)C.
What is the InChIKey of methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The InChIKey is CBOZAYOJXPZBCB-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate has a molecular weight of 336.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate is sourced from PubChem (CID 11461823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).