2-cyclopropylethyl (2S)-2-amino-2-phenylacetate

C13H17NO2 — CID 106202488

IUPAC2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
SMILESN[C@H](C(=O)OCCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c14-12(11-4-2-1-3-5-11)13(15)16-9-8-10-6-7-10/h1-5,10,12H,6-9,14H2/t12-/m0/s1
InChIKeyZSAIWMDVGCILGZ-LBPRGKRZSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds5

About 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate

2-cyclopropylethyl (2S)-2-amino-2-phenylacetate (PubChem CID 106202488) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
PubChem CID106202488
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
SMILESN[C@H](C(=O)OCCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c14-12(11-4-2-1-3-5-11)13(15)16-9-8-10-6-7-10/h1-5,10,12H,6-9,14H2/t12-/m0/s1
InChIKeyZSAIWMDVGCILGZ-LBPRGKRZSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
CID 54977387
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
CID 138483017
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate?
The IUPAC name of 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate (CID 106202488) is 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate.
What is the SMILES notation for 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate?
The canonical SMILES for 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate is N[C@H](C(=O)OCCC1CC1)c1ccccc1.
What is the InChIKey of 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate?
The InChIKey is ZSAIWMDVGCILGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12(11-4-2-1-3-5-11)13(15)16-9-8-10-6-7-10/h1-5,10,12H,6-9,14H2/t12-/m0/s1.
What are the key properties of 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate?
2-cyclopropylethyl (2S)-2-amino-2-phenylacetate has a molecular weight of 219.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl (2S)-2-amino-2-phenylacetate is sourced from PubChem (CID 106202488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).