tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate

C20H30N2O4 — CID 110157706

IUPACtert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2ccccc2)[C@@H](O)[C@@H]1N1CCCC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21-15-13-16(25-14-9-5-4-6-10-14)18(23)17(15)22-11-7-8-12-22/h4-6,9-10,15-18,23H,7-8,11-13H2,1-3H3,(H,21,24)/t15-,16-,17+,18+/m0/s1
InChIKeyXQKLHOQQWWEAKI-WNRNVDISSA-N
MW362.47 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate

tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate (PubChem CID 110157706) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate
PubChem CID110157706
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2ccccc2)[C@@H](O)[C@@H]1N1CCCC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21-15-13-16(25-14-9-5-4-6-10-14)18(23)17(15)22-11-7-8-12-22/h4-6,9-10,15-18,23H,7-8,11-13H2,1-3H3,(H,21,24)/t15-,16-,17+,18+/m0/s1
InChIKeyXQKLHOQQWWEAKI-WNRNVDISSA-N
XLogP2.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2S,3R,4R)-3-hydroxy-2-(methylamino)-4-phenoxycyclopentyl]carbamate
CID 110152916
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157371
tert-butyl N-[(1R,2S,3R,4R)-3-hydroxy-2-[methyl-[(2-methylphenyl)methyl]amino]-4-phenoxycyclopentyl]carbamate
CID 110155547
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
CID 110157395
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
CID 110157740
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate (CID 110157706) is tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2ccccc2)[C@@H](O)[C@@H]1N1CCCC1.
What is the InChIKey of tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate?
The InChIKey is XQKLHOQQWWEAKI-WNRNVDISSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21-15-13-16(25-14-9-5-4-6-10-14)18(23)17(15)22-11-7-8-12-22/h4-6,9-10,15-18,23H,7-8,11-13H2,1-3H3,(H,21,24)/t15-,16-,17+,18+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate?
tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate is sourced from PubChem (CID 110157706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).