2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid

C13H20N2O3 — CID 66174492

IUPAC2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
SMILESCC(NCC(c1ccco1)N1CCCC1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-10(13(16)17)14-9-11(12-5-4-8-18-12)15-6-2-3-7-15/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCNDCFKPOYVTEMT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.48
Rot. Bonds6

About 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid

2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid (PubChem CID 66174492) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
PubChem CID66174492
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
SMILESCC(NCC(c1ccco1)N1CCCC1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-10(13(16)17)14-9-11(12-5-4-8-18-12)15-6-2-3-7-15/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCNDCFKPOYVTEMT-UHFFFAOYSA-N
XLogP1.48
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide
CID 9114901
2-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 43363213
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentan-2-amine
CID 43202553
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpropan-1-amine
CID 112815907
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid (CID 66174492) is 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid is CC(NCC(c1ccco1)N1CCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid?
The InChIKey is CNDCFKPOYVTEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(13(16)17)14-9-11(12-5-4-8-18-12)15-6-2-3-7-15/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid?
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid is sourced from PubChem (CID 66174492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).