[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

C18H26N2O2 — CID 124699470

IUPAC[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c19-17-8-4-7-16(17)18(21)20-10-9-15(11-20)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2/t15-,16+,17-/m1/s1
InChIKeyZFVNOWSWHJEVFY-IXDOHACOSA-N
MW302.42 g/mol
LogP2.18
Rot. Bonds5

About [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 124699470) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID124699470
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c19-17-8-4-7-16(17)18(21)20-10-9-15(11-20)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2/t15-,16+,17-/m1/s1
InChIKeyZFVNOWSWHJEVFY-IXDOHACOSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
(2-aminocyclopentyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64853017
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795169
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (CID 124699470) is [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZFVNOWSWHJEVFY-IXDOHACOSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-17-8-4-7-16(17)18(21)20-10-9-15(11-20)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,19H2/t15-,16+,17-/m1/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124699470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).