2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid

C12H14N2O3 — CID 106534820

IUPAC2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1nccc2occc12
InChIInChI=1S/C12H14N2O3/c1-2-6-14(8-11(15)16)12-9-4-7-17-10(9)3-5-13-12/h3-5,7H,2,6,8H2,1H3,(H,15,16)
InChIKeyYFDQOSNSLDEPEM-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.13
Rot. Bonds5

About 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid

2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid (PubChem CID 106534820) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
PubChem CID106534820
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)c1nccc2occc12
InChIInChI=1S/C12H14N2O3/c1-2-6-14(8-11(15)16)12-9-4-7-17-10(9)3-5-13-12/h3-5,7H,2,6,8H2,1H3,(H,15,16)
InChIKeyYFDQOSNSLDEPEM-UHFFFAOYSA-N
XLogP2.13
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(furo[3,2-c]pyridin-4-yl)amino]methyl]-N,N-dimethylbenzamide
CID 86805556
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
CID 103911820
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
CID 106535582
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
CID 62939610
N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
CID 106535603
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
CID 106536023

Frequently Asked Questions

What is the IUPAC name of 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid?
The IUPAC name of 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid (CID 106534820) is 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid?
The canonical SMILES for 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid is CCCN(CC(=O)O)c1nccc2occc12.
What is the InChIKey of 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid?
The InChIKey is YFDQOSNSLDEPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-6-14(8-11(15)16)12-9-4-7-17-10(9)3-5-13-12/h3-5,7H,2,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid?
2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid is sourced from PubChem (CID 106534820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).