tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate

C18H29NO6 — CID 118011942

IUPACtert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H](O)C[C@H]2C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C18H29NO6/c1-6-24-16(23)18(9-10(18)2)19-14(21)12-7-11(20)8-13(12)15(22)25-17(3,4)5/h10-13,20H,6-9H2,1-5H3,(H,19,21)/t10-,11+,12-,13-,18-/m1/s1
InChIKeyXMEDDGYFSKMCFM-APPZKNGHSA-N
MW355.43 g/mol
LogP1.17
Rot. Bonds5

About tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate

tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate (PubChem CID 118011942) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate
PubChem CID118011942
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Nametert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H](O)C[C@H]2C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C18H29NO6/c1-6-24-16(23)18(9-10(18)2)19-14(21)12-7-11(20)8-13(12)15(22)25-17(3,4)5/h10-13,20H,6-9H2,1-5H3,(H,19,21)/t10-,11+,12-,13-,18-/m1/s1
InChIKeyXMEDDGYFSKMCFM-APPZKNGHSA-N
XLogP1.17
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,2R,4S)-2-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylate
CID 66871266
tert-butyl 4-(6-tert-butyl-2-methoxypyrimidin-4-yl)oxy-2-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]cyclopentane-1-carboxylate
CID 68588473
tert-butyl (1R,2R,4R)-2-[[(1S,2R)-1-ethoxycarbonyl-2-iodocyclopropyl]carbamoyl]-4-(6-methoxy-2-phenylpyrimidin-4-yl)oxycyclopentane-1-carboxylate
CID 89069411
tert-butyl 2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 67288043
tert-butyl (1R,2R,4R)-2-[[(1S,2R)-1-ethoxycarbonyl-2-iodocyclopropyl]carbamoyl]-4-(2-methoxy-6-phenylpyrimidin-4-yl)oxycyclopentane-1-carboxylate
CID 89069378
ethyl (1R,2R,4S)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylate
CID 66918484
trans-tert-butyl (2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxycyclopentane-1-carboxylate
CID 58738920
ethane;trans-ethyl (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 143329843
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
diethyl (2S,4R,5R,6R)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 57106562
methyl 4-hydroxy-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]cyclopentane-1-carboxylate
CID 141298428
ethyl (2R,3S,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 10924119

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate (CID 118011942) is tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate is CCOC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H](O)C[C@H]2C(=O)OC(C)(C)C)C[C@H]1C.
What is the InChIKey of tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is XMEDDGYFSKMCFM-APPZKNGHSA-N. The full InChI is InChI=1S/C18H29NO6/c1-6-24-16(23)18(9-10(18)2)19-14(21)12-7-11(20)8-13(12)15(22)25-17(3,4)5/h10-13,20H,6-9H2,1-5H3,(H,19,21)/t10-,11+,12-,13-,18-/m1/s1.
What are the key properties of tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate?
tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,2R,4S)-2-[[(1R,2R)-1-ethoxycarbonyl-2-methylcyclopropyl]carbamoyl]-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 118011942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).