ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate

C17H23NO7 — CID 118505288

IUPACethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate
SMILESCCOC(=O)CO[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H23NO7/c1-2-23-14(19)10-24-13-8-12(15(20)16(13)21)18-17(22)25-9-11-6-4-3-5-7-11/h3-7,12-13,15-16,20-21H,2,8-10H2,1H3,(H,18,22)/t12-,13+,15+,16-/m1/s1
InChIKeyOLDDZCHNQAGKIY-BFJAYTPKSA-N
MW353.37 g/mol
LogP0.36
Rot. Bonds7

About ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate

ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate (PubChem CID 118505288) has the molecular formula C17H23NO7 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate
PubChem CID118505288
Molecular FormulaC17H23NO7
Molecular Weight353.37 g/mol
Exact Mass353.15
IUPAC Nameethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate
SMILESCCOC(=O)CO[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H23NO7/c1-2-23-14(19)10-24-13-8-12(15(20)16(13)21)18-17(22)25-9-11-6-4-3-5-7-11/h3-7,12-13,15-16,20-21H,2,8-10H2,1H3,(H,18,22)/t12-,13+,15+,16-/m1/s1
InChIKeyOLDDZCHNQAGKIY-BFJAYTPKSA-N
XLogP0.36
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate with MolForge

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Related Compounds

benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
[2-(phenylmethoxycarbonylamino)cyclopropyl] 3-oxopentanoate
CID 174954381
ethyl (1R,2S,4S,5R)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 164669953
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
cis-ethyl (1R,4R)-1,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 57154777
ethyl 2-[(1R,3R)-1-hydroxy-3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 91608810
methyl (1R,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 102370724
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate?
The IUPAC name of ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate (CID 118505288) is ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate.
What is the SMILES notation for ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate?
The canonical SMILES for ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate is CCOC(=O)CO[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate?
The InChIKey is OLDDZCHNQAGKIY-BFJAYTPKSA-N. The full InChI is InChI=1S/C17H23NO7/c1-2-23-14(19)10-24-13-8-12(15(20)16(13)21)18-17(22)25-9-11-6-4-3-5-7-11/h3-7,12-13,15-16,20-21H,2,8-10H2,1H3,(H,18,22)/t12-,13+,15+,16-/m1/s1.
What are the key properties of ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate?
ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate has a molecular weight of 353.37 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(phenylmethoxycarbonylamino)cyclopentyl]oxyacetate is sourced from PubChem (CID 118505288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).