methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

C15H21NO4 — CID 15384695

IUPACmethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18)/t15-/m0/s1
InChIKeyORSZIGBBKCMQKH-HNNXBMFYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds3

About methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (PubChem CID 15384695) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
PubChem CID15384695
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18)/t15-/m0/s1
InChIKeyORSZIGBBKCMQKH-HNNXBMFYSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
acetic acid;tert-butyl N-(1-amino-1-imino-2-phenylpropan-2-yl)carbamate
CID 155819932
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
CID 122225403
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate
CID 95271743
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 2-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 59448709
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (CID 15384695) is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is COC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The InChIKey is ORSZIGBBKCMQKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is sourced from PubChem (CID 15384695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).