ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate

C19H23NO7 — CID 11268915

IUPACethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@H](OCOC)[C@@H](NC(=O)OCc1ccccc1)c1ccco1
InChIInChI=1S/C19H23NO7/c1-3-24-18(21)17(27-13-23-2)16(15-10-7-11-25-15)20-19(22)26-12-14-8-5-4-6-9-14/h4-11,16-17H,3,12-13H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyOVCVDXGEDLMNLK-DLBZAZTESA-N
MW377.39 g/mol
LogP2.80
Rot. Bonds10

About ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate

ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11268915) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID11268915
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Nameethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate
SMILESCCOC(=O)[C@H](OCOC)[C@@H](NC(=O)OCc1ccccc1)c1ccco1
InChIInChI=1S/C19H23NO7/c1-3-24-18(21)17(27-13-23-2)16(15-10-7-11-25-15)20-19(22)26-12-14-8-5-4-6-9-14/h4-11,16-17H,3,12-13H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyOVCVDXGEDLMNLK-DLBZAZTESA-N
XLogP2.80
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate
CID 10595340
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908
benzyl N-(1-aminobutyl)carbamate
CID 3840640
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
ethyl (2S)-3,3-difluoro-2-(phenylmethoxycarbonylamino)propanoate
CID 101131913
ethyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate
CID 7068918
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate (CID 11268915) is ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate is CCOC(=O)[C@H](OCOC)[C@@H](NC(=O)OCc1ccccc1)c1ccco1.
What is the InChIKey of ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is OVCVDXGEDLMNLK-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23NO7/c1-3-24-18(21)17(27-13-23-2)16(15-10-7-11-25-15)20-19(22)26-12-14-8-5-4-6-9-14/h4-11,16-17H,3,12-13H2,1-2H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate?
ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 377.39 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11268915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).