methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate

C17H25NO4 — CID 77265757

IUPACmethyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(C)(Cc1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18(5)17(4,14(19)21-6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyHFUAQOLKVHJJBD-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.03
Rot. Bonds4

About methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate

methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate (PubChem CID 77265757) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
PubChem CID77265757
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(C)(Cc1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18(5)17(4,14(19)21-6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyHFUAQOLKVHJJBD-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-benzoylphenyl)-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90761368
3-O-tert-butyl 1-O-methyl (2R)-2-benzyl-2-fluoropropanedioate
CID 25265203
3-O-tert-butyl 1-O-methyl (2S)-2-benzyl-2-fluoropropanedioate
CID 101455411
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate
CID 90991112
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
(2S)-2-benzyl-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 141159334
3-(2-hydroxyphenyl)propyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-phenylpropanoate
CID 102024392
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380
methyl 2-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 59448709

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate (CID 77265757) is methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate is COC(=O)C(C)(Cc1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate?
The InChIKey is HFUAQOLKVHJJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18(5)17(4,14(19)21-6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3.
What are the key properties of methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate?
methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate has a molecular weight of 307.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 77265757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).