2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate

C23H31NO4 — CID 160872779

IUPAC2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
SMILESCC(C)(OC(=O)CN)c1ccccc1.CCC(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C12H16O2.C11H15NO2/c1-4-11(13)14-12(2,3)10-8-6-5-7-9-10;1-11(2,14-10(13)8-12)9-6-4-3-5-7-9/h5-9H,4H2,1-3H3;3-7H,8,12H2,1-2H3
InChIKeySLYYMNJGZMWCTP-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.30
Rot. Bonds6

About 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate

2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate (PubChem CID 160872779) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate.

Molecular Properties

Compound Name2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
PubChem CID160872779
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
SMILESCC(C)(OC(=O)CN)c1ccccc1.CCC(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C12H16O2.C11H15NO2/c1-4-11(13)14-12(2,3)10-8-6-5-7-9-10;1-11(2,14-10(13)8-12)9-6-4-3-5-7-9/h5-9H,4H2,1-3H3;3-7H,8,12H2,1-2H3
InChIKeySLYYMNJGZMWCTP-UHFFFAOYSA-N
XLogP4.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
CID 175017464
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-phenylpropan-2-yl 3-cyclopropyl-3-oxopropanoate
CID 138594023
2-phenylpropan-2-yl 3-[3-oxo-3-(2-phenylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 70006698
2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
CID 141400887
(1,2,3-trihydroxy-1,1-diphenylpropan-2-yl) propanoate
CID 139965349
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
1,1-bis(phenylmethoxy)ethyl propanoate
CID 91309948
[2,2-dimethyl-1-(3-oxobutanoyloxy)-1-phenylpropyl] 3-oxobutanoate
CID 54417005
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate?
The IUPAC name of 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate (CID 160872779) is 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate.
What is the SMILES notation for 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate?
The canonical SMILES for 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate is CC(C)(OC(=O)CN)c1ccccc1.CCC(=O)OC(C)(C)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate?
The InChIKey is SLYYMNJGZMWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C11H15NO2/c1-4-11(13)14-12(2,3)10-8-6-5-7-9-10;1-11(2,14-10(13)8-12)9-6-4-3-5-7-9/h5-9H,4H2,1-3H3;3-7H,8,12H2,1-2H3.
What are the key properties of 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate?
2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate has a molecular weight of 385.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate is sourced from PubChem (CID 160872779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).