(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride

C14H25Cl2N3O2 — CID 119873740

IUPAC(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)[C@@H](C)N)N2CCCC2)o1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-10-5-6-13(19-10)12(17-7-3-4-8-17)9-16-14(18)11(2)15;;/h5-6,11-12H,3-4,7-9,15H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m1../s1
InChIKeyFSSKIKWQUOZVEX-HLQRPDAISA-N
MW338.28 g/mol
LogP2.03
Rot. Bonds5

About (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride (PubChem CID 119873740) has the molecular formula C14H25Cl2N3O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
PubChem CID119873740
Molecular FormulaC14H25Cl2N3O2
Molecular Weight338.28 g/mol
Exact Mass337.13
IUPAC Name(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)[C@@H](C)N)N2CCCC2)o1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-10-5-6-13(19-10)12(17-7-3-4-8-17)9-16-14(18)11(2)15;;/h5-6,11-12H,3-4,7-9,15H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m1../s1
InChIKeyFSSKIKWQUOZVEX-HLQRPDAISA-N
XLogP2.03
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 52515023
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119873716
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052708
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride (CID 119873740) is (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride is Cc1ccc(C(CNC(=O)[C@@H](C)N)N2CCCC2)o1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride?
The InChIKey is FSSKIKWQUOZVEX-HLQRPDAISA-N. The full InChI is InChI=1S/C14H23N3O2.2ClH/c1-10-5-6-13(19-10)12(17-7-3-4-8-17)9-16-14(18)11(2)15;;/h5-6,11-12H,3-4,7-9,15H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride has a molecular weight of 338.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119873740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).