ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate

C17H23NO3 — CID 11403533

IUPACethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
SMILESC=CCN(CC=C)[C@H](c1ccccc1)[C@@H](O)C(=O)OCC
InChIInChI=1S/C17H23NO3/c1-4-12-18(13-5-2)15(14-10-8-7-9-11-14)16(19)17(20)21-6-3/h4-5,7-11,15-16,19H,1-2,6,12-13H2,3H3/t15-,16-/m1/s1
InChIKeyAWVDQCGWFUHVBS-HZPDHXFCSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds9

About ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate

ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate (PubChem CID 11403533) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
PubChem CID11403533
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
SMILESC=CCN(CC=C)[C@H](c1ccccc1)[C@@H](O)C(=O)OCC
InChIInChI=1S/C17H23NO3/c1-4-12-18(13-5-2)15(14-10-8-7-9-11-14)16(19)17(20)21-6-3/h4-5,7-11,15-16,19H,1-2,6,12-13H2,3H3/t15-,16-/m1/s1
InChIKeyAWVDQCGWFUHVBS-HZPDHXFCSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
ethyl (3S)-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]butanoate
CID 11161693
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
diethyl 2-(2-phenylbut-3-enyl)propanedioate
CID 102386384
ethyl 3-phenylhex-5-enoate
CID 11481375
diethyl 2-[(1S,3R)-3-hydroxy-1-phenylpent-4-enyl]propanedioate
CID 132540270
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate (CID 11403533) is ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate is C=CCN(CC=C)[C@H](c1ccccc1)[C@@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate?
The InChIKey is AWVDQCGWFUHVBS-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-12-18(13-5-2)15(14-10-8-7-9-11-14)16(19)17(20)21-6-3/h4-5,7-11,15-16,19H,1-2,6,12-13H2,3H3/t15-,16-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate?
ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate has a molecular weight of 289.38 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 11403533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).