3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid

C14H13NO4 — CID 51704043

IUPAC3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
SMILESC[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccco1
InChIInChI=1S/C14H13NO4/c1-9(12-6-3-7-19-12)15-13(16)10-4-2-5-11(8-10)14(17)18/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyRICPNEUFYNRIAV-SECBINFHSA-N
MW259.26 g/mol
LogP2.47
Rot. Bonds4

About 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid

3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid (PubChem CID 51704043) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
PubChem CID51704043
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
SMILESC[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccco1
InChIInChI=1S/C14H13NO4/c1-9(12-6-3-7-19-12)15-13(16)10-4-2-5-11(8-10)14(17)18/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyRICPNEUFYNRIAV-SECBINFHSA-N
XLogP2.47
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
3-[[1-(furan-2-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 61199837
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid (CID 51704043) is 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid is C[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ccco1.
What is the InChIKey of 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid?
The InChIKey is RICPNEUFYNRIAV-SECBINFHSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9(12-6-3-7-19-12)15-13(16)10-4-2-5-11(8-10)14(17)18/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid?
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 51704043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).