[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate

C17H24N2O3 — CID 142325951

IUPAC[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate
SMILESN[C@@H]1CCN(C(=O)O[C@H]2CCC[C@@H]2OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c18-14-9-10-19(11-14)17(20)22-16-8-4-7-15(16)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15+,16+/m1/s1
InChIKeyCHWOKTRVARYPJN-PMPSAXMXSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds4

About [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate

[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate (PubChem CID 142325951) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate
PubChem CID142325951
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate
SMILESN[C@@H]1CCN(C(=O)O[C@H]2CCC[C@@H]2OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c18-14-9-10-19(11-14)17(20)22-16-8-4-7-15(16)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15+,16+/m1/s1
InChIKeyCHWOKTRVARYPJN-PMPSAXMXSA-N
XLogP2.29
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
CID 59556083
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
benzyl 3-aminopyrrolidine-1-carboxylate;benzyl 3-(propan-2-ylamino)pyrrolidine-1-carboxylate;methane
CID 157491543
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119410321
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate?
The IUPAC name of [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate (CID 142325951) is [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate is N[C@@H]1CCN(C(=O)O[C@H]2CCC[C@@H]2OCc2ccccc2)C1.
What is the InChIKey of [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate?
The InChIKey is CHWOKTRVARYPJN-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-14-9-10-19(11-14)17(20)22-16-8-4-7-15(16)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12,18H2/t14-,15+,16+/m1/s1.
What are the key properties of [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate?
[(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylmethoxycyclopentyl] (3R)-3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 142325951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).