(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid

C14H14N2O3 — CID 105378957

IUPAC(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
SMILESCc1ccc2cc([C@@H](CC(=O)O)NC=O)ccc2n1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-10-6-11(4-5-12(10)16-9)13(15-8-17)7-14(18)19/h2-6,8,13H,7H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1
InChIKeySCWPAYLRTRBWGV-CYBMUJFWSA-N
MW258.28 g/mol
LogP1.81
Rot. Bonds5

About (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid

(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid (PubChem CID 105378957) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
PubChem CID105378957
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
SMILESCc1ccc2cc([C@@H](CC(=O)O)NC=O)ccc2n1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-10-6-11(4-5-12(10)16-9)13(15-8-17)7-14(18)19/h2-6,8,13H,7H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1
InChIKeySCWPAYLRTRBWGV-CYBMUJFWSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid?
The IUPAC name of (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid (CID 105378957) is (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid.
What is the SMILES notation for (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid?
The canonical SMILES for (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid is Cc1ccc2cc([C@@H](CC(=O)O)NC=O)ccc2n1.
What is the InChIKey of (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid?
The InChIKey is SCWPAYLRTRBWGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-2-3-10-6-11(4-5-12(10)16-9)13(15-8-17)7-14(18)19/h2-6,8,13H,7H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid?
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid is sourced from PubChem (CID 105378957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).