2-phenylethyl 2-amino-2-cyclopropylpropanoate

C14H19NO2 — CID 114993704

IUPAC2-phenylethyl 2-amino-2-cyclopropylpropanoate
SMILESCC(N)(C(=O)OCCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-14(15,12-7-8-12)13(16)17-10-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3
InChIKeyUIMXJNZVMVQZTJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds5

About 2-phenylethyl 2-amino-2-cyclopropylpropanoate

2-phenylethyl 2-amino-2-cyclopropylpropanoate (PubChem CID 114993704) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenylethyl 2-amino-2-cyclopropylpropanoate.

Molecular Properties

Compound Name2-phenylethyl 2-amino-2-cyclopropylpropanoate
PubChem CID114993704
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-phenylethyl 2-amino-2-cyclopropylpropanoate
SMILESCC(N)(C(=O)OCCc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c1-14(15,12-7-8-12)13(16)17-10-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3
InChIKeyUIMXJNZVMVQZTJ-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
2-phenylethyl 3-cyclopentylpropanoate
CID 568730
2-phenylethyl acetate
CID 7654
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
acetic acid;2-phenylethyl acetate
CID 174791962
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-phenylethyl 2,2-dimethylpropanoate;2-phenylethyl pentanoate
CID 162120236
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-amino-2-cyclopropylpropanoate?
The IUPAC name of 2-phenylethyl 2-amino-2-cyclopropylpropanoate (CID 114993704) is 2-phenylethyl 2-amino-2-cyclopropylpropanoate.
What is the SMILES notation for 2-phenylethyl 2-amino-2-cyclopropylpropanoate?
The canonical SMILES for 2-phenylethyl 2-amino-2-cyclopropylpropanoate is CC(N)(C(=O)OCCc1ccccc1)C1CC1.
What is the InChIKey of 2-phenylethyl 2-amino-2-cyclopropylpropanoate?
The InChIKey is UIMXJNZVMVQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(15,12-7-8-12)13(16)17-10-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3.
What are the key properties of 2-phenylethyl 2-amino-2-cyclopropylpropanoate?
2-phenylethyl 2-amino-2-cyclopropylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-amino-2-cyclopropylpropanoate is sourced from PubChem (CID 114993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).