2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid

C13H14N2O3 — CID 60989949

IUPAC2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(N)c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C13H14N2O3/c1-8(12-3-2-6-18-12)15-9-4-5-11(14)10(7-9)13(16)17/h2-8,15H,14H2,1H3,(H,16,17)
InChIKeyVZVAXGAWNTXRCJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid

2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid (PubChem CID 60989949) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
PubChem CID60989949
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(N)c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C13H14N2O3/c1-8(12-3-2-6-18-12)15-9-4-5-11(14)10(7-9)13(16)17/h2-8,15H,14H2,1H3,(H,16,17)
InChIKeyVZVAXGAWNTXRCJ-UHFFFAOYSA-N
XLogP2.73
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
methyl 4-[1-(furan-2-yl)ethylamino]benzoate
CID 43139128
2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 79838073
5-N-[1-(furan-2-yl)ethyl]pyridine-2,5-diamine
CID 43535641
N-[1-(furan-2-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676321
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
4-bromo-N-[1-(furan-2-yl)ethyl]-3-nitroaniline
CID 79767523

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid?
The IUPAC name of 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid (CID 60989949) is 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid is CC(Nc1ccc(N)c(C(=O)O)c1)c1ccco1.
What is the InChIKey of 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid?
The InChIKey is VZVAXGAWNTXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(12-3-2-6-18-12)15-9-4-5-11(14)10(7-9)13(16)17/h2-8,15H,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid?
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid is sourced from PubChem (CID 60989949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).