2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide

C12H19N3O2 — CID 115301891

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CC[C@@H](N)C1
InChIInChI=1S/C12H19N3O2/c1-9(15-5-4-10(13)8-15)12(16)14-7-11-3-2-6-17-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyDEAJJWBDACZGKY-QVDQXJPCSA-N
MW237.30 g/mol
LogP0.32
Rot. Bonds4

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 115301891) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID115301891
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CC[C@@H](N)C1
InChIInChI=1S/C12H19N3O2/c1-9(15-5-4-10(13)8-15)12(16)14-7-11-3-2-6-17-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,14,16)/t9?,10-/m1/s1
InChIKeyDEAJJWBDACZGKY-QVDQXJPCSA-N
XLogP0.32
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 95284417
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide (CID 115301891) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)N1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is DEAJJWBDACZGKY-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(15-5-4-10(13)8-15)12(16)14-7-11-3-2-6-17-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,14,16)/t9?,10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 115301891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).