tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C16H29NO5 — CID 149454210

IUPACtert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12(10-8-7-9-11(10)18)17-14(20)22-16(4,5)6/h10-12,18H,7-9H2,1-6H3,(H,17,20)/t10-,11-,12-/m0/s1
InChIKeyYYFJILTXUYFYOY-SRVKXCTJSA-N
MW315.41 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 149454210) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID149454210
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12(10-8-7-9-11(10)18)17-14(20)22-16(4,5)6/h10-12,18H,7-9H2,1-6H3,(H,17,20)/t10-,11-,12-/m0/s1
InChIKeyYYFJILTXUYFYOY-SRVKXCTJSA-N
XLogP2.38
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

2-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 166728593
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 123732561
tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
CID 67772156
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
CID 137364869
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 149454210) is tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1O.
What is the InChIKey of tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is YYFJILTXUYFYOY-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12(10-8-7-9-11(10)18)17-14(20)22-16(4,5)6/h10-12,18H,7-9H2,1-6H3,(H,17,20)/t10-,11-,12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 315.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 149454210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).