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

C11H16N2O3 — CID 117011822

IUPAC3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(Cc2ccco2)C1
InChIInChI=1S/C11H16N2O3/c12-11(10(14)15)4-2-5-13(8-11)7-9-3-1-6-16-9/h1,3,6H,2,4-5,7-8,12H2,(H,14,15)
InChIKeyYEZKFFWQJRPSLG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.66
Rot. Bonds3

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

3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 117011822) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID117011822
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(Cc2ccco2)C1
InChIInChI=1S/C11H16N2O3/c12-11(10(14)15)4-2-5-13(8-11)7-9-3-1-6-16-9/h1,3,6H,2,4-5,7-8,12H2,(H,14,15)
InChIKeyYEZKFFWQJRPSLG-UHFFFAOYSA-N
XLogP0.66
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
3-amino-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324790
9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131639239
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117012947
3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324929
(3aS,8aR)-5-(furan-2-ylmethyl)-2-methylsulfonyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155825947
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid (CID 117011822) is 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid is NC1(C(=O)O)CCCN(Cc2ccco2)C1.
What is the InChIKey of 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is YEZKFFWQJRPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-11(10(14)15)4-2-5-13(8-11)7-9-3-1-6-16-9/h1,3,6H,2,4-5,7-8,12H2,(H,14,15).
What are the key properties of 3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid?
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.66, 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 117011822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).