3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid

C10H14N2O3 — CID 107321382

IUPAC3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccco2)C1
InChIInChI=1S/C10H14N2O3/c11-10(9(13)14)3-4-12(7-10)6-8-2-1-5-15-8/h1-2,5H,3-4,6-7,11H2,(H,13,14)
InChIKeyYYHRHYRZKWXCQH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.27
Rot. Bonds3

About 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107321382) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID107321382
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2ccco2)C1
InChIInChI=1S/C10H14N2O3/c11-10(9(13)14)3-4-12(7-10)6-8-2-1-5-15-8/h1-2,5H,3-4,6-7,11H2,(H,13,14)
InChIKeyYYHRHYRZKWXCQH-UHFFFAOYSA-N
XLogP0.27
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324790
3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324929
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
(3R)-3-(difluoromethyl)-1-(furan-2-ylmethyl)pyrrolidin-3-ol
CID 129349310
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117012947
3-amino-1-[(2-chloro-6-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321493
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719656
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 107321382) is 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(Cc2ccco2)C1.
What is the InChIKey of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YYHRHYRZKWXCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-10(9(13)14)3-4-12(7-10)6-8-2-1-5-15-8/h1-2,5H,3-4,6-7,11H2,(H,13,14).
What are the key properties of 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).