3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid

C14H15NO3 — CID 63098734

IUPAC3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
SMILESCC(Cc1ccco1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H15NO3/c1-10(8-13-6-3-7-18-13)15-12-5-2-4-11(9-12)14(16)17/h2-7,9-10,15H,8H2,1H3,(H,16,17)
InChIKeyGQOVNXFDZCLADR-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.02
Rot. Bonds5

About 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid

3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid (PubChem CID 63098734) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
PubChem CID63098734
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
SMILESCC(Cc1ccco1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H15NO3/c1-10(8-13-6-3-7-18-13)15-12-5-2-4-11(9-12)14(16)17/h2-7,9-10,15H,8H2,1H3,(H,16,17)
InChIKeyGQOVNXFDZCLADR-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 62709297
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
CID 43478876
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
4-[1-(furan-2-yl)propan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 61043893
3-(hex-4-yn-2-ylamino)benzoic acid
CID 57082596
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid (CID 63098734) is 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid is CC(Cc1ccco1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid?
The InChIKey is GQOVNXFDZCLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(8-13-6-3-7-18-13)15-12-5-2-4-11(9-12)14(16)17/h2-7,9-10,15H,8H2,1H3,(H,16,17).
What are the key properties of 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid?
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid has a molecular weight of 245.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid is sourced from PubChem (CID 63098734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).