2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid

C19H21ClN2O4 — CID 72862619

IUPAC2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1Cl)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H21ClN2O4/c20-16-6-2-1-5-15(16)17(19(24)25)21-18(23)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h1-6,11,13,17H,7-10,12H2,(H,21,23)(H,24,25)
InChIKeyDVSRBXCCPHKXJX-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.09
Rot. Bonds6

About 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid

2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid (PubChem CID 72862619) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
PubChem CID72862619
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1Cl)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H21ClN2O4/c20-16-6-2-1-5-15(16)17(19(24)25)21-18(23)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h1-6,11,13,17H,7-10,12H2,(H,21,23)(H,24,25)
InChIKeyDVSRBXCCPHKXJX-UHFFFAOYSA-N
XLogP3.09
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid (CID 72862619) is 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)c1ccccc1Cl)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid?
The InChIKey is DVSRBXCCPHKXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c20-16-6-2-1-5-15(16)17(19(24)25)21-18(23)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h1-6,11,13,17H,7-10,12H2,(H,21,23)(H,24,25).
What are the key properties of 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid?
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid has a molecular weight of 376.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 72862619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).