(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid

C14H14ClNO3 — CID 95003401

IUPAC(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)C(=O)O
InChIInChI=1S/C14H14ClNO3/c1-9(14(17)18)16-8-12-5-6-13(19-12)10-3-2-4-11(15)7-10/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyFHBDLKRENOIQEJ-SECBINFHSA-N
MW279.72 g/mol
LogP3.16
Rot. Bonds5

About (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid

(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid (PubChem CID 95003401) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
PubChem CID95003401
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)C(=O)O
InChIInChI=1S/C14H14ClNO3/c1-9(14(17)18)16-8-12-5-6-13(19-12)10-3-2-4-11(15)7-10/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyFHBDLKRENOIQEJ-SECBINFHSA-N
XLogP3.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid (CID 95003401) is (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid is C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid?
The InChIKey is FHBDLKRENOIQEJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9(14(17)18)16-8-12-5-6-13(19-12)10-3-2-4-11(15)7-10/h2-7,9,16H,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid?
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid has a molecular weight of 279.72 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid is sourced from PubChem (CID 95003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).