3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C17H25N3O2 — CID 119895345

IUPAC3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H25N3O2/c1-22-16-5-3-2-4-15(16)20-9-8-14(11-20)19-17(21)12-6-7-13(18)10-12/h2-5,12-14H,6-11,18H2,1H3,(H,19,21)
InChIKeyWKFJZWRNIFLMGN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 119895345) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID119895345
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CCC(N)C2)C1
InChIInChI=1S/C17H25N3O2/c1-22-16-5-3-2-4-15(16)20-9-8-14(11-20)19-17(21)12-6-7-13(18)10-12/h2-5,12-14H,6-11,18H2,1H3,(H,19,21)
InChIKeyWKFJZWRNIFLMGN-UHFFFAOYSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119876240
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 136514271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 119895345) is 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is COc1ccccc1N1CCC(NC(=O)C2CCC(N)C2)C1.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is WKFJZWRNIFLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-16-5-3-2-4-15(16)20-9-8-14(11-20)19-17(21)12-6-7-13(18)10-12/h2-5,12-14H,6-11,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119895345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).