tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate

C17H25NO3 — CID 58216148

IUPACtert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-14-10-7-11-15(14)20-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyMJRHJVSEIVCCDA-GJZGRUSLSA-N
MW291.39 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate

tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate (PubChem CID 58216148) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
PubChem CID58216148
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-14-10-7-11-15(14)20-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyMJRHJVSEIVCCDA-GJZGRUSLSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614
tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
CID 122212288
(2S)-2-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-2-(phenylmethoxycarbonylamino)acetic acid
CID 23241893
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
tert-butyl N-[1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazol-3-yl]carbamate
CID 58646670
N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
benzyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohexyl]carbamate
CID 68827567
N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
CID 101365257
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]pyrimidine-5-carboxamide
CID 74230622
benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59753506

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate (CID 58216148) is tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate?
The InChIKey is MJRHJVSEIVCCDA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-14-10-7-11-15(14)20-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate is sourced from PubChem (CID 58216148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).