methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate

C13H23NO5 — CID 178203019

IUPACmethyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9-5-8(6-10(9)15)11(16)18-4/h8-10,15H,5-7H2,1-4H3,(H,14,17)/t8-,9+,10+/m1/s1
InChIKeyIKXKXQAFGWTYEO-UTLUCORTSA-N
MW273.33 g/mol
LogP1.07
Rot. Bonds3

About methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate

methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate (PubChem CID 178203019) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
PubChem CID178203019
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namemethyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9-5-8(6-10(9)15)11(16)18-4/h8-10,15H,5-7H2,1-4H3,(H,14,17)/t8-,9+,10+/m1/s1
InChIKeyIKXKXQAFGWTYEO-UTLUCORTSA-N
XLogP1.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
CID 124583022
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
tert-butyl (1S,3R,4S)-3-[[[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-4-hydroxycyclopentane-1-carboxylate
CID 124862767
tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
CID 22408667
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl (1R,3R,4S)-3-hydroxy-4-[[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]methyl]cyclopentane-1-carboxylate
CID 124863170
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate (CID 178203019) is methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate is COC(=O)[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C1.
What is the InChIKey of methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The InChIKey is IKXKXQAFGWTYEO-UTLUCORTSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-9-5-8(6-10(9)15)11(16)18-4/h8-10,15H,5-7H2,1-4H3,(H,14,17)/t8-,9+,10+/m1/s1.
What are the key properties of methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3S,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 178203019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).