ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate

C16H22N2O3 — CID 61164393

IUPACethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-15(19)11-18(13-8-9-13)16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3/t14-/m0/s1
InChIKeyRVWKFYBJYKYVGN-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate

ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate (PubChem CID 61164393) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
PubChem CID61164393
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-15(19)11-18(13-8-9-13)16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3/t14-/m0/s1
InChIKeyRVWKFYBJYKYVGN-AWEZNQCLSA-N
XLogP1.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22721819
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
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CID 61164395
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
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(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
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ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
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ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate (CID 61164393) is ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate?
The InChIKey is RVWKFYBJYKYVGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-15(19)11-18(13-8-9-13)16(20)14(17)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,17H2,1H3/t14-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate?
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate is sourced from PubChem (CID 61164393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).