2-phenylethyl 2-aminoprop-2-enoate

C11H13NO2 — CID 19357551

IUPAC2-phenylethyl 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)OCCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2
InChIKeyYEFDZVCALROIFU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.24
Rot. Bonds4

About 2-phenylethyl 2-aminoprop-2-enoate

2-phenylethyl 2-aminoprop-2-enoate (PubChem CID 19357551) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-phenylethyl 2-aminoprop-2-enoate.

Molecular Properties

Compound Name2-phenylethyl 2-aminoprop-2-enoate
PubChem CID19357551
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-phenylethyl 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)OCCc1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2
InChIKeyYEFDZVCALROIFU-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl acetate
CID 7654
2-phenylethyl 3,3-difluoro-2-methylprop-2-enoate
CID 11401868
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-phenylethyl N-carbamoylcarbamate
CID 3027882
carbamothioic S-acid;O-(2-phenylethyl) carbamothioate
CID 118658866
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
chloromethylbenzene;ethyl 2-aminoprop-2-enoate
CID 21263566
1-O-hexadecyl 2-O-(2-phenylethyl) oxalate
CID 6421916
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
1-O-dodecyl 2-O-(2-phenylethyl) oxalate
CID 6421914

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-aminoprop-2-enoate?
The IUPAC name of 2-phenylethyl 2-aminoprop-2-enoate (CID 19357551) is 2-phenylethyl 2-aminoprop-2-enoate.
What is the SMILES notation for 2-phenylethyl 2-aminoprop-2-enoate?
The canonical SMILES for 2-phenylethyl 2-aminoprop-2-enoate is C=C(N)C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-aminoprop-2-enoate?
The InChIKey is YEFDZVCALROIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2.
What are the key properties of 2-phenylethyl 2-aminoprop-2-enoate?
2-phenylethyl 2-aminoprop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-aminoprop-2-enoate is sourced from PubChem (CID 19357551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).