(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid

C16H19NO4 — CID 139190302

IUPAC(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)[C@H]1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyRKFILNSIYNANKQ-TZMCWYRMSA-N
MW289.33 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid

(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid (PubChem CID 139190302) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid
PubChem CID139190302
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)[C@H]1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyRKFILNSIYNANKQ-TZMCWYRMSA-N
XLogP3.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid?
The IUPAC name of (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid (CID 139190302) is (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid?
The canonical SMILES for (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid is CCC[C@@H](C(=O)O)[C@H]1C=Cc2ccccc2N1C(=O)OC.
What is the InChIKey of (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid?
The InChIKey is RKFILNSIYNANKQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid?
(2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-methoxycarbonyl-2H-quinolin-2-yl]pentanoic acid is sourced from PubChem (CID 139190302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).